SCHEMBL16036262

SCHEMBL16036262

Cc1ccc(S(=O)(=O)n2c(C3=CCN(C(=O)OC(C)(C)C)CC3)cc3c(Br)ccnc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.46
HTR6 P50406 1/20 0.46
GPR119 Q8TDV5 1/20 0.43
GRM1 Q13255 10/20 0.42
GRM5 P41594 9/20 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

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
SCHEMBL4318186 0.93 HTR6 (0.53) HTR6GPR119GRM1GRM5PDK4
SCHEMBL16035864 0.90 KIT (0.46) KITHTR6GPR119GRM1GRM5
SCHEMBL15525366 0.85 KIT (0.49) KITHTR6GPR119GRM1GRM5
SCHEMBL29607952 0.85 KIT (0.49) KITHTR6GPR119GRM1GRM5
SCHEMBL2993785 0.85 PTGDR2 (0.35) KITHTR6GPR119
SCHEMBL16535994 0.85 KIT (0.48) KITHTR6GPR119GRM1GRM5
SCHEMBL16034761 0.84 KIT (0.42) KITHTR6GPR119GRM1GRM5
SCHEMBL1356463 0.84 KIT (0.46) KITHTR6GPR119GRM1GRM5
SCHEMBL16052496 0.84 KIT (0.46) KITHTR6GPR119GRM1GRM5
SCHEMBL16050699 0.84 CDK9 (0.44) KITHTR6GPR119GRM1GRM5

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 11 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-9328112-B2 Tetracyclic CDK9 kinase inhibitors ABBVIE INC. (US) 2016-05-03 US disclosed
US-20160060257-A1 PYRROLO [2,3-B] PYRIDINE CDK9 KINASE INHIBITORS ABBVIE INC. (US) 2016-03-03 US disclosed
EP-2970278-A1 PYRROLO[2,3-B]PYRIDINE CDK9 KINASE INHIBITORS AbbVie Inc. (US) 2016-01-20 EP disclosed
WO-2015119712-A1 TETRACYCLIC CDK9 KINASE INHIBITORS ABBVIE INC. (US) 2015-08-13 WO disclosed
US-20150218165-A1 TETRACYCLIC CDK9 KINASE INHIBITORS ABBVIE INC. (US) 2015-08-06 US disclosed
US-9073922-B2 Pyrrolo[2,3-B]pyridine CDK9 kinase inhibitors ABBVIE, INC. (US) 2015-07-07 US disclosed
US-8969375-B2 CDK9 kinase inhibitors ABBVIE, INC. (US) 2015-03-03 US disclosed
US-20140275153-A1 CDK9 KINASE INHIBITORS ABBIVE INC. 2014-09-18 US disclosed
WO-2014139328-A1 PYRROLO[2,3-B]PYRIDINE CDK9 KINASE INHIBITORS ABBVIE INC. (US) 2014-09-18 WO disclosed
US-20140275027-A1 PYRROLO[2,3-B]PYRIDINE CDK9 KINASE INHIBITORS ABBVIE INC. 2014-09-18 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 (4 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-20140275027-A1 PYRROLO[2,3-B]PYRIDINE CDK9 KINASE INHIBITORS CDK9, CDK19, CDK3 KIT 868/4885HTR6 3977/4885GPR119 1031/4885
US-20150218165-A1 TETRACYCLIC CDK9 KINASE INHIBITORS CDK9, CDK19, CDK1 KIT 444/4885HTR6 4499/4885GPR119 553/4885
US-20140275153-A1 CDK9 KINASE INHIBITORS CDK9, CDK19, CDK10 KIT 678/4885HTR6 3953/4885GPR119 769/4885

“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.