SCHEMBL9960182

SCHEMBL9960182

NC1CCCC(Cn2ncc3ccccc32)C1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 8/20 0.46
CHRM1 P11229 8/20 0.46
RECQL P46063 1/20 0.44
CYP1A2 P05177 1/20 0.41
TSHR P16473 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KMO O15229 1/20 0.40
CHRM3 P20309 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CRHR1 P34998 1/20 0.39
ADRA2A P08913 1/20 0.39
MERTK Q12866 1/20 0.39
GRM2 Q14416 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL31429406 0.88 RECQL (0.51) CHRM2CHRM1RECQLCYP1A2TSHR
SCHEMBL25741023 0.84 CHRM2 (0.49) CHRM2CHRM1RECQLCYP1A2TSHR
SCHEMBL25740903 0.83 CHRM2 (0.48) CHRM2CHRM1RECQLCYP1A2TSHR
SCHEMBL25740899 0.83 CHRM2 (0.48) CHRM2CHRM1RECQLCYP1A2TSHR
SCHEMBL5946285 0.82 RECQL (0.54) CHRM2CHRM1RECQLCYP1A2TSHR
Trifluoroacetic Acid SCHEMBL3898358 0.80 CRHR1 (0.49) CHRM2CHRM1RECQLTSHRL3MBTL1
SCHEMBL29353854 0.77 CHRM2 (0.42) CHRM2CHRM1RECQLCYP1A2TSHR
SCHEMBL29355855 0.77 CHRM2 (0.42) CHRM2CHRM1RECQLCYP1A2TSHR
SCHEMBL9959585 0.76 NPC1 (0.50) CHRM2CHRM1RECQLTSHRL3MBTL1
SCHEMBL17845290 0.75 RECQL (0.47) CHRM2CHRM1RECQLCYP1A2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023122581-A2 IKAROS ZINC FINGER FAMILY DEGRADERS AND USES THEREOF GILEAD SCIENCES, INC. (US) 2023-06-29 WO disclosed
EP-2654748-B1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS MERCK SHARP & DOHME (US) 2016-07-27 EP disclosed
EP-2654748-B1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS MERCK SHARP & DOHME (US) 2016-07-27 EP disclosed
US-9351965-B2 Indazole derivatives useful as ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2016-05-31 US disclosed
US-9351965-B2 Indazole derivatives useful as ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2016-05-31 US disclosed
US-9351965-B2 Indazole derivatives useful as ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2016-05-31 US disclosed
EP-2654748-A1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-10-30 EP disclosed
US-20130261125-A1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS MERCK SHARP & DOHME LLC 2013-10-03 US disclosed
US-20130261125-A1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS MERCK SHARP & DOHME LLC 2013-10-03 US disclosed
US-20130261125-A1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS MERCK SHARP & DOHME LLC 2013-10-03 US disclosed
WO-2012087772-A1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS SCHERING CORPORATION (US) 2012-06-28 WO disclosed
WO-2012087772-A1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS SCHERING CORPORATION (US) 2012-06-28 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 (1 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-20130261125-A1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS MAPK3, MAPK1, MAP3K1 CHRM2 2475/4885CHRM1 2326/4885RECQL 3015/4885

“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.