SCHEMBL163181

SCHEMBL163181

NC(=O)c1ccc2ncccc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
HSD17B10 Q99714 2/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
KDM4E B2RXH2 6/20 0.44
MAPT P10636 4/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 3/20 0.43
PARP1 P09874 1/20 0.43
PIM1 P11309 1/20 0.42
PTK2 Q05397 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TGFBR1 P36897 2/20 0.40
POLB P06746 1/20 0.40
CYP3A4 P08684 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
TP53 P04637 2/20 0.40
TSHR P16473 2/20 0.40
NFKB1 P19838 1/20 0.40

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
Hydrochloric Acid SCHEMBL27739681 0.98 ALDH1A1 (0.44) ALDH1A1HSD17B10HPGDALOX15KDM4E
Trifluoroacetic Acid SCHEMBL4118989 0.89 ALDH1A1 (0.41) ALDH1A1HSD17B10HPGDALOX15KDM4E
SCHEMBL27829573 0.85 KDM4E (0.59) ALDH1A1HSD17B10HPGDALOX15KDM4E
Quinoline SCHEMBL28120036 0.84 KDM4E (0.59) ALDH1A1KDM4EMAPTRAB9ANPC1
SCHEMBL841536 0.83 ALDH1A1 (0.61) ALDH1A1HSD17B10HPGDALOX15KDM4E
Benzamide SCHEMBL27821963 0.82 HSD17B10 (0.53) ALDH1A1HSD17B10HPGDALOX15KDM4E
SCHEMBL28148150 0.82 ALDH1A1 (0.40) ALDH1A1HSD17B10HPGDALOX15KDM4E
SCHEMBL13781685 0.81 ALDH1A1 (0.46) ALDH1A1HSD17B10HPGDALOX15KDM4E
SCHEMBL20572033 0.81 ALDH1A1 (0.50) ALDH1A1HSD17B10HPGDALOX15KDM4E
Hydrochloric Acid SCHEMBL27619882 0.81 ALDH1A1 (0.59) ALDH1A1HSD17B10HPGDALOX15KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260124198-A1 ANTIVIRAL PYRAZOLOPYRIDINONE COMPOUNDS GILEAD SCIENCES INC (US) 2026-05-07 US claimed
CN-114423757-B Tricyclic heteroaryl compounds useful as IRAK4 inhibitors 百时美施贵宝公司 2024-07-02 CN claimed
CN-115583948-A Novel crystalline forms of POL1 inhibitor 皮梅拉股份有限公司 2023-01-10 CN claimed
US-11524966-B1 Carboxamides as ubiquitin-specific protease inhibitors VALO HEALTH, INC. (US) 2022-12-13 US claimed
EP-3999508-A1 TRICYCLIC HETEROARYL COMPOUNDS USEFUL AS IRAK4 INHIBITORS Bristol-Myers Squibb Company (US) 2022-05-25 EP claimed
CN-114423757-A Tricyclic heteroaryl compounds useful as IRAK4 inhibitors 百时美施贵宝公司 2022-04-29 CN claimed
CN-108904508-B Novel application of Polymerase I inhibitor 中山大学 2021-03-12 CN claimed
WO-2021011724-A1 TRICYCLIC HETEROARYL COMPOUNDS USEFUL AS IRAK4 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2021-01-21 WO claimed
CN-109952302-B Positive allosteric modulators of muscarinic M1 receptors 苏文生命科学有限公司 2020-11-24 CN claimed
CN-110709400-A Novel crystalline forms of POL1 inhibitor 皮梅拉股份有限公司 2020-01-17 CN claimed
CN-109952302-A Muscarine M1 receptor forward direction allosteric modulators 苏文生命科学有限公司 2019-06-28 CN claimed
EP-2928470-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS Siga Technologies, Inc. (US) 2015-10-14 EP claimed
CN-104812387-A Substituted 1, 6-naphthyridines HOFFMANN LA ROCHE 2015-07-29 CN claimed
WO-2014089378-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS SIGA TECHNOLOGIES, INC. (US) 2014-06-12 WO claimed
CN-103533934-A Quinolone analogs for treating autoimmune diseases TEL HASHOMER MEDICAL RES INFRASTRUCTURE & SERVICES LTD 2014-01-22 CN claimed
US-20130178460-A1 THIENOPYRIMIDINE COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2013-07-11 US claimed
EP-2164493-A2 HETEROARYL-SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE Janssen Pharmaceutica, N.V. (BE) 2010-03-24 EP claimed
US-20090062294-A1 HETEROARYL-SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2009-03-05 US claimed
WO-2008153752-A2 HETEROARYL-SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA N.V. (BE) 2008-12-18 WO claimed
WO-2004019933-A1 METHOD OF PREVENTING OR TREATING ATHEROSCLEROSIS OR RESTENOSIS PHARMACIA & UPJOHN COMPANY (US) 2004-03-11 WO claimed

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

For each of this compound's patents that has machine-readable text (4 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-20260124198-A1 ANTIVIRAL PYRAZOLOPYRIDINONE COMPOUNDS ZC3HAV1, CCR1, CCR6 ALDH1A1 3001/4885HSD17B10 2339/4885HPGD 4537/4885
US-20090062294-A1 HETEROARYL-SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, GPR119 ALDH1A1 2084/4885HSD17B10 1317/4885HPGD 1609/4885
US-11524966-B1 Carboxamides as ubiquitin-specific protease inhibitors USP28, USP25, USP24 ALDH1A1 2167/4885HSD17B10 3010/4885HPGD 2119/4885
US-20130178460-A1 THIENOPYRIMIDINE COMPOUNDS SYK, BTK, LCK ALDH1A1 2538/4885HSD17B10 4169/4885HPGD 2606/4885

“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.