SCHEMBL12376656

SCHEMBL12376656

Cc1cc(C(=O)NC(C)(C)C)c(=O)n(-c2ccccc2)n1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.58
NTRK1 P04629 2/20 0.50
GAA P10253 1/20 0.50
TSHR P16473 2/20 0.46
KCNJ6 P48051 1/20 0.46
KCNJ5 P48544 1/20 0.46
KCNJ3 P48549 1/20 0.46
KMT2A Q03164 5/20 0.45
ALDH1A1 P00352 4/20 0.45
MEN1 O00255 1/20 0.45
HTT P42858 1/20 0.45
MDM2 Q00987 1/20 0.44
CYP1A2 P05177 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL12376661 0.87 RIPK1 (0.44) RIPK1GAAKCNJ6KCNJ5KCNJ3
SCHEMBL12986725 0.82 NTRK1 (0.55) NTRK1GAATSHRKCNJ6KCNJ5
SCHEMBL13101587 0.78 RIPK1 (0.51) RIPK1GAAKMT2AALDH1A1MEN1
SCHEMBL13467666 0.75 RAB9A (0.57) NTRK1GAAKMT2AMEN1
SCHEMBL2854522 0.74 MAPK1 (0.64) MAPK1
SCHEMBL23391777 0.74 RIPK1 (1.00) RIPK1MAPK1
SCHEMBL12848336 0.72 MAPT (0.49) RIPK1GAAKCNJ6KCNJ5KCNJ3
SCHEMBL15441318 0.72 ALDH1A1 (0.47) NTRK1GAATSHRKCNJ6KCNJ5
SCHEMBL10202150 0.70 POLB (0.69) ALDH1A1
SCHEMBL21366468 0.70 NR4A3 (0.52) RIPK1GAAALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003662-B2 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. (US) 2011-08-23 US disclosed
US-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. 2007-08-23 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 (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-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ERBB2, LCK, SRC RIPK1 2517/4885NTRK1 56/4885GAA 1103/4885

“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.