SCHEMBL5313141

SCHEMBL5313141

CC(C)(C)Sc1cccc(N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.46
CASP1 P29466 2/20 0.46
RECQL P46063 2/20 0.46
KDM4E B2RXH2 3/20 0.41
HSD17B10 Q99714 2/20 0.41
SLC6A4 P31645 1/20 0.40
ALDH1A1 P00352 7/20 0.39
TSHR P16473 3/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
PDE7A Q13946 2/20 0.37
MAOA P21397 1/20 0.37
AR P10275 1/20 0.36
TP53 P04637 1/20 0.35

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 SCHEMBL27555401 0.98 HSD17B10 (0.44) CYP3A4CASP1RECQLKDM4EHSD17B10
SCHEMBL31351861 0.84 SLC6A4 (0.42) KDM4EHSD17B10SLC6A4ARMAPT
SCHEMBL4298138 0.79 TSHR (0.41) CYP3A4CASP1RECQLKDM4EALDH1A1
SCHEMBL2436075 0.79 CYP3A4 (0.38) CYP3A4CASP1RECQLKDM4EHSD17B10
SCHEMBL656796 0.78 ALDH1A1 (0.56) CYP3A4CASP1RECQLKDM4EHSD17B10
SCHEMBL29574292 0.78 ALDH1A1 (0.56) CYP3A4CASP1RECQLKDM4EHSD17B10
SCHEMBL10294043 0.76 ACHE (0.48) CYP3A4KDM4EHSD17B10SLC6A4ALDH1A1
SCHEMBL112315 0.75
SCHEMBL29671351 0.75
SCHEMBL2438988 0.74 MAOA (0.46) KDM4EHSD17B10SLC6A4ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230142274-A1 SUBSTITUTED ARYL COMPOUND NANJING ZAIMING PHARMACEUTICAL CO., LTD. (CN) 2023-05-11 US disclosed
US-20230142274-A1 SUBSTITUTED ARYL COMPOUND NANJING ZAIMING PHARMACEUTICAL CO., LTD. (CN) 2023-05-11 US disclosed
EP-4007752-A1 KIF18A INHIBITORS Amgen Inc. (US) 2022-06-08 EP disclosed
CN-114302880-A KIF18A inhibitors 美国安进公司 2022-04-08 CN disclosed
WO-2021026098-A1 KIF18A INHIBITORS AMGEN INC. (US) 2021-02-11 WO disclosed
US-20120172361-A1 TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS CALIFORNIA CAPITAL EQUITY, LLC (US) 2012-07-05 US disclosed
US-20120172361-A1 TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS CALIFORNIA CAPITAL EQUITY, LLC (US) 2012-07-05 US disclosed
WO-2007064869-A2 CATALYSTS FOR ARYL SULFIDE SYNTHESIS AND METHOD OF PRODUCING ARYL SULFIDES YALE UNIVERSITY (US) 2007-06-07 WO disclosed
WO-2007064869-A2 CATALYSTS FOR ARYL SULFIDE SYNTHESIS AND METHOD OF PRODUCING ARYL SULFIDES YALE UNIVERSITY (US) 2007-06-07 WO 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 (2 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-20120172361-A1 TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS CYP3A5, CYP11B2, ABCB1 CYP3A4 69/4885CASP1 1915/4885RECQL 3585/4885
US-20230142274-A1 SUBSTITUTED ARYL COMPOUND RAD51, FANCI, BLM CYP3A4 2537/4885CASP1 3330/4885RECQL 19/4885

“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.