SCHEMBL7732282

SCHEMBL7732282

Cc1ccc2ncn(C(C)C)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.50
KDM4E B2RXH2 4/20 0.50
NPC1 O15118 4/20 0.50
HCAR3 P49019 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.42
HPGD P15428 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LCK P06239 1/20 0.40
FGFR1 P11362 1/20 0.40
ALDH1A1 P00352 3/20 0.39
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TNF P01375 1/20 0.39
GFER P55789 1/20 0.38
MAPT P10636 2/20 0.37
BRD4 O60885 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37

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
SCHEMBL11396992 0.85 RAB9A (0.61) RAB9AKDM4ENPC1HCAR3SMN1; SMN2
SCHEMBL18250728 0.83 NPC1 (0.43) RAB9AKDM4ENPC1HCAR3SMN1; SMN2
SCHEMBL6175527 0.82 BRD4 (0.41) RAB9AKDM4ENPC1HCAR3SMN1; SMN2
SCHEMBL22272322 0.81 HCAR3 (0.47) RAB9AKDM4ENPC1HCAR3SMN1; SMN2
SCHEMBL18250729 0.81 TNF (0.39) RAB9AKDM4ENPC1SMN1; SMN2HPGD
SCHEMBL18250698 0.80 BRD4 (0.40) RAB9AKDM4ENPC1SMN1; SMN2HPGD
SCHEMBL23063551 0.80 HCAR3 (0.50) RAB9AKDM4ENPC1HCAR3SMN1; SMN2
SCHEMBL7726920 0.80 HCAR3 (0.46) RAB9AKDM4ENPC1HCAR3SMN1; SMN2
SCHEMBL15723611 0.80 HCAR3 (0.46) RAB9AKDM4ENPC1HCAR3SMN1; SMN2
SCHEMBL19836338 0.80 GLP1R (0.53) RAB9AKDM4ENPC1HCAR3SMN1; SMN2

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230399355-A1 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS, AND USES THEREOF Lakewood Amedex, Inc. 2023-12-14 US disclosed
WO-2023072301-A1 PYRAZOLO[3,4-D]PYRIMIDIN-3-ONE COMPOUND AND MEDICAL USE THEREOF 正大天晴药业集团股份有限公司 2023-05-04 WO disclosed
US-11358936-B2 Lysyl oxidase-like 2 inhibitors and uses thereof PHARMAKEA, INC. (US) 2022-06-14 US disclosed
US-11111233-B2 Amino pyrimidine compound for inhibiting protein tyrosine kinase activity SHENZHEN TARGETRX, INC. (CN) 2021-09-07 US disclosed
US-20210171465-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA INC (US) 2021-06-10 US disclosed
US-10756394-B2 Nonaqueous electrolyte and nonaqueous secondary battery ASAHI KASEI KABUSHIKI KAISHA (JP) 2020-08-25 US disclosed
US-20190152954-A1 AMINO PYRIMIDINE COMPOUND FOR INHIBITING PROTEIN TYROSINE KINASE ACTIVITY SHENZHEN TARGETRX, INC. (CN) 2019-05-23 US disclosed
US-20180062213-A1 Nonaqueous Electrolyte and Nonaqueous Secondary Battery ASAHI KASEI KABUSHIKI KAISHA (JP) 2018-03-01 US disclosed
US-20180062213-A1 Nonaqueous Electrolyte and Nonaqueous Secondary Battery ASAHI KASEI KABUSHIKI KAISHA (JP) 2018-03-01 US disclosed
EP-3279997-A1 NONAQUEOUS ELECTROLYTE AND NONAQUEOUS SECONDARY BATTERY Asahi Kasei Kabushiki Kaisha (JP) 2018-02-07 EP disclosed
US-9611230-B2 1,3,4-oxadiazole benzoic acid compounds and their use for nonsense suppression and the treatment of disease PTC THERAPEUTICS, INC. (US) 2017-04-04 US disclosed
US-9499529-B2 Therapeutic uses of curcumin analogs for treatment of prostate cancer CALIFORNIA STATE UNIVERSITY, FRESNO (US) 2016-11-22 US disclosed
US-20160326162-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2016-11-10 US disclosed
WO-2016164641-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2016-10-13 WO disclosed
US-20130005739-A1 PHARMACEUTICAL PREPARATIONS COMPRISING A COS RELEASING COMPOUND LUDWIG BOLTZMANN CLUSTER FUER KARDIOVASKULAERE FORSCHUNG (AT) 2013-01-03 US disclosed
US-6875765-B2 Arylsulfonamide ethers, and methods of use thereof WARNER-LAMBERT COMPANY (US) 2005-04-05 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 (9 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-11358936-B2 Lysyl oxidase-like 2 inhibitors and uses thereof LOXL2, LOXL1, LOX RAB9A 4612/4885KDM4E 1498/4885NPC1 1843/4885
US-20210171465-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF LOXL2, LOXL1, LOX RAB9A 4612/4885KDM4E 1498/4885NPC1 1843/4885
US-10756394-B2 Nonaqueous electrolyte and nonaqueous secondary battery BPTF, BRD4, KCNN2 RAB9A 3611/4885KDM4E 2256/4885NPC1 2529/4885
US-20190152954-A1 AMINO PYRIMIDINE COMPOUND FOR INHIBITING PROTEIN TYROSINE KINASE ACTIVITY LCK, WEE1, JAK1 RAB9A 1708/4885KDM4E 2096/4885NPC1 3516/4885
US-20130005739-A1 PHARMACEUTICAL PREPARATIONS COMPRISING A COS RELEASING COMPOUND VIP, CRH, ADCYAP1R1 RAB9A 430/4885KDM4E 4765/4885NPC1 55/4885
US-20180062213-A1 Nonaqueous Electrolyte and Nonaqueous Secondary Battery BPTF, BRD4, KCNN2 RAB9A 3611/4885KDM4E 2256/4885NPC1 2529/4885
US-20160326162-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K11, MAP4K2, PLK1 RAB9A 1950/4885KDM4E 2226/4885NPC1 2140/4885
US-11111233-B2 Amino pyrimidine compound for inhibiting protein tyrosine kinase activity LCK, WEE1, JAK1 RAB9A 1708/4885KDM4E 2096/4885NPC1 3516/4885
US-20230399355-A1 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS, AND USES THEREOF CAT, MPO, NISCH RAB9A 1341/4885KDM4E 4759/4885NPC1 1114/4885

“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.