SCHEMBL17030839

SCHEMBL17030839

COC(=O)c1cc(C)c(Cl)cc1N

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.57
KDM4E B2RXH2 6/20 0.56
GAA P10253 5/20 0.54
ALDH1A1 P00352 5/20 0.50
HSD17B10 Q99714 3/20 0.50
MAPT P10636 2/20 0.50
HPGD P15428 2/20 0.50
GLA P06280 2/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
ATM Q13315 1/20 0.50
CD44 P16070 1/20 0.50
NQO2 P16083 6/20 0.48
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
CFTR P13569 3/20 0.46
POLB P06746 1/20 0.40
GUSB P08236 1/20 0.39

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
SCHEMBL1884944 0.87 GAA (0.64) ABL1KDM4EGAAALDH1A1HSD17B10
SCHEMBL23774898 0.86 GAA (0.54) ABL1KDM4EGAAALDH1A1HSD17B10
SCHEMBL7762378 0.85 ABL1 (0.61) ABL1KDM4EGAAALDH1A1HSD17B10
SCHEMBL16662001 0.85 GAA (0.51) ABL1KDM4EGAAALDH1A1MAPT
SCHEMBL681252 0.85 KDM4E (0.63) ABL1KDM4EGAAALDH1A1HSD17B10
SCHEMBL18432300 0.83 GAA (0.46) ABL1KDM4EGAAALDH1A1HSD17B10
SCHEMBL2897750 0.83 KDM4E (0.61) ABL1KDM4EGAAALDH1A1HSD17B10
SCHEMBL15358099 0.83 ALDH1A1 (0.51) KDM4EGAAALDH1A1HSD17B10MAPT
SCHEMBL11922587 0.82 ABL1 (0.57) ABL1KDM4EGAAALDH1A1HSD17B10
SCHEMBL2897626 0.81 GAA (0.62) ABL1KDM4EGAAALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023129553-A1 BCL-2 INHIBITORS Eil Therapeutics, Inc. (US) 2023-07-06 WO disclosed
WO-2022265974-A1 AMINOHETEROCYCLE-SUBSTITUTED TRICYCLIC KRAS INHIBITORS ERASCA, INC. (US) 2022-12-22 WO disclosed
US-20180118757-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2018-05-03 US disclosed
US-9840516-B2 Substituted quinazolines as inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2017-12-12 US disclosed
US-20150239900-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2015-08-27 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 (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-20180118757-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS ABL1 82/4885KDM4E 3221/4885GAA 2356/4885
US-20150239900-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS ABL1 216/4885KDM4E 3220/4885GAA 2064/4885

“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.