SCHEMBL9906410

SCHEMBL9906410

CN(C)c1ncc(C(C)(C)C)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 4/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ GRM5 P41594 2/20 0.41
▸ KCNH2 Q12809 1/20 0.35
▸ CYP1A2 P05177 3/20 0.35
▸ LMNA P02545 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ CREBBP Q92793 1/20 0.35
▸ HPGD P15428 3/20 0.34
▸ CASP1 P29466 2/20 0.32
▸ CASP7 P55210 2/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ APP P05067 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ MAPK1 P28482 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15360282 0.78 ALDH1A1 (0.43) HSD17B10ALDH1A1KDM4EALOX15GRM5
SCHEMBL26151668 0.78 — —
SCHEMBL19251314 0.78 GRM5 (0.40) HSD17B10ALDH1A1KDM4EALOX15GRM5
SCHEMBL22752392 0.78 GRM5 (0.40) HSD17B10ALDH1A1KDM4EALOX15GRM5
SCHEMBL26151666 0.75 — —
SCHEMBL19801728 0.75 TRPV1 (0.42) ALDH1A1GRM5MEN1MAPK1KMT2A
SCHEMBL13947610 0.75 TDP1 (0.39) ALDH1A1TSHR
SCHEMBL19254948 0.74 GRM5 (0.38) HSD17B10ALDH1A1KDM4EALOX15GRM5
SCHEMBL19251394 0.74 GRM5 (0.38) HSD17B10ALDH1A1KDM4EALOX15GRM5
SCHEMBL13007624 0.74 HDAC6 (0.48) GRM5CYP1A2CYP2D6MEN1CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 76 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230150972-A1 PYRIDINYL DERIVATIVES AS SODIUM CHANNEL ACTIVATORS XENON PHARMACEUTICALS INC. (CA) 2023-05-18 — — US disclosed
US-20230150972-A1 PYRIDINYL DERIVATIVES AS SODIUM CHANNEL ACTIVATORS XENON PHARMACEUTICALS INC. (CA) 2023-05-18 — — US disclosed
US-20210244721-A1 SMALL MOLECULE ENTEROVIRUS INHIBITORS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-08-12 — — US disclosed
US-20210032207-A1 QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-02-04 — — US disclosed
US-10889589-B2 Bicyclic urea, thiourea, guanidine and cyanoguanidine compounds useful for the treatment of pain ARRAY BIOPHARMA INC. (US) 2021-01-12 — — US disclosed
US-10865216-B2 Tricyclic Gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-12-15 — — US disclosed
US-10858360-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-12-08 — — US disclosed
US-10793549-B2 Sulfuryl-substituted benzoheterocyclic derivative, preparation method and medical use thereof SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2020-10-06 — — US disclosed
US-10654828-B2 Indole derivatives and uses thereof NOVARTIS AG (CH) 2020-05-19 — — US disclosed
US-20200055823-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2020-02-20 — — US disclosed
US-20130225581-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLIC DERIVATIVE KYOWA HAKKO KIRIN CO., LTD (JP) 2013-08-29 — — US disclosed
US-20130116250-A1 IMIDAZOPYRIDINE DERIVATIVES, PROCESS FOR PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-05-09 — — US disclosed
US-20120245174-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2012-09-27 — — US disclosed
US-20120245174-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2012-09-27 — — US disclosed
US-20120238751-A1 TRICYCLIC GYRASE INHIBITORS TRIUS THERAPEUTICS, INC. (US) 2012-09-20 — — US disclosed
US-20120157430-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS INCYTE CORPORATION 2012-06-21 — — US disclosed
US-8198273-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2012-06-12 — — US disclosed
US-8198273-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2012-06-12 — — US disclosed
US-20100286142-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor PLEXXIKON, INC. 2010-11-11 — — US disclosed
US-20100286142-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor PLEXXIKON, INC. 2010-11-11 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (15 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120157430-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PI4KB HSD17B10 4521/4885ALDH1A1 3828/4885KDM4E 1582/4885
US-20210244721-A1 SMALL MOLECULE ENTEROVIRUS INHIBITORS AND USES THEREOF AR, KLK3, BRDT HSD17B10 612/4885ALDH1A1 3667/4885KDM4E 2146/4885
US-20200055823-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 HSD17B10 640/4885ALDH1A1 1445/4885KDM4E 2957/4885
US-20120238751-A1 TRICYCLIC GYRASE INHIBITORS TOP1, TOP2A, TOP2B HSD17B10 356/4885ALDH1A1 1898/4885KDM4E 2371/4885
US-20130116250-A1 IMIDAZOPYRIDINE DERIVATIVES, PROCESS FOR PREPARATION THEREOF AND THERAPEUTIC USE THEREOF CCNY, ENY2, PAH HSD17B10 4532/4885ALDH1A1 2306/4885KDM4E 728/4885
US-10858360-B2 Tricyclic gyrase inhibitors TOP1, TOP2A, TOP2B HSD17B10 356/4885ALDH1A1 1898/4885KDM4E 2371/4885
US-20130225581-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLIC DERIVATIVE FGFR3, FGFR1, FGFR4 HSD17B10 1922/4885ALDH1A1 2684/4885KDM4E 618/4885
US-10889589-B2 Bicyclic urea, thiourea, guanidine and cyanoguanidine compounds useful for the treatment of pain TK1, UACA, TDP1 HSD17B10 4687/4885ALDH1A1 3388/4885KDM4E 2186/4885
US-20100286142-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor BRAF, ARAF, RAF1 HSD17B10 3793/4885ALDH1A1 999/4885KDM4E 3363/4885
US-20210032207-A1 QUINOLONE COMPOUND HAX1, NQO2, CXCR1 HSD17B10 626/4885ALDH1A1 1573/4885KDM4E 2926/4885
US-20120245174-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR BRAF, ARAF, RAF1 HSD17B10 3793/4885ALDH1A1 999/4885KDM4E 3363/4885
US-10654828-B2 Indole derivatives and uses thereof MYLK2, MYOF, MUSK HSD17B10 3113/4885ALDH1A1 1676/4885KDM4E 2754/4885
US-10865216-B2 Tricyclic Gyrase inhibitors TOP1, TOP2A, TOP2B HSD17B10 404/4885ALDH1A1 1726/4885KDM4E 2335/4885
US-10793549-B2 Sulfuryl-substituted benzoheterocyclic derivative, preparation method and medical use thereof STS, SULT2A1, CYP2A13 HSD17B10 550/4885ALDH1A1 579/4885KDM4E 2911/4885
US-20230150972-A1 PYRIDINYL DERIVATIVES AS SODIUM CHANNEL ACTIVATORS SCN1B, SCN1A, SCN2B HSD17B10 2786/4885ALDH1A1 1828/4885KDM4E 1340/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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