SCHEMBL1356463

SCHEMBL1356463

Cc1ccc(S(=O)(=O)n2c(C3=CCN(C(=O)OC(C)(C)C)CC3)cc3c(Cl)c(Cl)cnc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.46
HTR6 P50406 1/20 0.45
GPR119 Q8TDV5 2/20 0.42
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
GABRA4 P48169 1/20 0.41
GABRE P78334 1/20 0.41
GABRA6 Q16445 1/20 0.41
GABRG1 Q8N1C3 1/20 0.41
GABRG3 Q99928 1/20 0.41
GABRQ Q9UN88 1/20 0.41
GRM1 Q13255 9/20 0.41

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
SCHEMBL16052496 0.93 KIT (0.46) KITHTR6GPR119GABRPGABRD
SCHEMBL16035864 0.89 KIT (0.46) KITHTR6GPR119GABRPGABRD
SCHEMBL15525366 0.88 KIT (0.49) KITHTR6GPR119GABRPGABRD
SCHEMBL29607952 0.88 KIT (0.49) KITHTR6GPR119GABRPGABRD
SCHEMBL16040458 0.85 HTR6 (0.51) HTR6GPR119GRM1GRM5DGAT2
SCHEMBL16036262 0.84 KIT (0.46) KITHTR6GPR119GABRPGABRD
SCHEMBL16041334 0.84 CDK9 (0.51)
SCHEMBL16535994 0.84 KIT (0.48) KITHTR6GPR119GABRPGABRD
SCHEMBL5001708 0.81 HTR6 (0.53) KITHTR6GPR119GRM1GRM5
SCHEMBL17535108 0.81 KIT (0.39) KITHTR6GPR119GABRPGABRD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9796708-B2 Pyrrolo [2,3-B] pyridine CDK9 kinase inhibitors ABBVIE INC. (US) 2017-10-24 US disclosed
US-20160060257-A1 PYRROLO [2,3-B] PYRIDINE CDK9 KINASE INHIBITORS ABBVIE INC. (US) 2016-03-03 US disclosed
US-9073922-B2 Pyrrolo[2,3-B]pyridine CDK9 kinase inhibitors ABBVIE, INC. (US) 2015-07-07 US disclosed
US-20140275027-A1 PYRROLO[2,3-B]PYRIDINE CDK9 KINASE INHIBITORS ABBVIE INC. 2014-09-18 US disclosed
EP-2569316-B1 PYRROLOPYRIDINE AND PYRROLOPYRIMIDINE INHIBITORS OF KINASES ABBVIE INC (US) 2014-04-23 EP disclosed
EP-2569316-A1 PYRROLOPYRIDINE AND PYRROLOPYRIMIDINE INHIBITORS OF KINASES Abbvie Inc. (US) 2013-03-20 EP disclosed
WO-2011143459-A1 PYRROLOPYRIDINE AND PYRROLOPYRIMIDINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-11-17 WO disclosed
US-20110281842-A1 PYRROLOPYRIDINE AND PYRROLOPYRIMIDINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-11-17 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 (3 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-20160060257-A1 PYRROLO [2,3-B] PYRIDINE CDK9 KINASE INHIBITORS CDK9, CDK19, CDK3 KIT 785/4885HTR6 4237/4885GPR119 866/4885
US-20110281842-A1 PYRROLOPYRIDINE AND PYRROLOPYRIMIDINE INHIBITORS OF KINASES AURKA, AURKC, AURKB KIT 401/4885HTR6 4589/4885GPR119 4009/4885
US-20140275027-A1 PYRROLO[2,3-B]PYRIDINE CDK9 KINASE INHIBITORS CDK9, CDK19, CDK3 KIT 868/4885HTR6 3977/4885GPR119 1031/4885

“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.