SCHEMBL12376611

SCHEMBL12376611

CNC(=O)c1ccc(-c2ccc(C(C)C)cn2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.60
ATM Q13315 2/20 0.46
PTPN1 P18031 3/20 0.46
PTPN6 P29350 1/20 0.46
PTPN11 Q06124 1/20 0.46
MKNK2 Q9HBH9 2/20 0.46
MKNK1 Q9BUB5 1/20 0.46
DEGS1 O15121 1/20 0.45
TRPV1 Q8NER1 1/20 0.44
ROCK2 O75116 1/20 0.44
PTPN2 P17706 1/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 1/20 0.43
PRKDC P78527 1/20 0.43
ATR Q13535 1/20 0.43
MET P08581 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42

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
SCHEMBL19391346 0.81 HDAC2 (0.53) MKNK2MKNK1DEGS1NPC1RAB9A
SCHEMBL12409679 0.80 BAZ2B (0.65) BAZ2BATMPTPN1PTPN6PTPN11
SCHEMBL10118805 0.79 CYP11B1 (0.44) PTPN1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL105171 0.79 HDAC6 (0.59) DEGS1NPC1RAB9ASMN1; SMN2HDAC2
SCHEMBL15507078 0.77 BAZ2B (0.79) BAZ2BATMPTPN1PTPN6PTPN11
SCHEMBL24453718 0.77 MEN1 (0.55) PTPN1PTPN6PTPN11TRPV1PTPN2
SCHEMBL13561356 0.76 RPS6KA3 (0.45) BAZ2BMKNK2MKNK1DEGS1TRPV1
SCHEMBL24976756 0.76 BAZ2B (0.72) BAZ2BATMPTPN1PTPN6PTPN11
SCHEMBL1542986 0.75 BAZ2B (1.00) BAZ2BATMPTPN1MKNK2MKNK1
SCHEMBL12794020 0.74 NPC1 (0.51) DEGS1NPC1RAB9ASMN1; SMN2MAPT

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 3 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
WO-2008063202-A2 HETEROBICYCLIC THIOPHENE COMPOUNDS FOR THE TREATMENT OF CANCER ARRAY BIOPHARMA INC. (US) 2008-05-29 WO 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 BAZ2B 3679/4885ATM 1256/4885PTPN1 29/4885

“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.