SCHEMBL16051053

SCHEMBL16051053

COc1ccc(F)cc1-c1ccnc2[nH]c([C@@H]3C[C@@H]4CN(CC(=O)N(C)C)C[C@@H]4C3)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 20/20 1.00
▸ CCNT1 O60563 18/20 1.00
▸ CASP3 P42574 1/20 0.71
▸ CASP7 P55210 1/20 0.71

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
SCHEMBL16051052 1.00 CDK9 (1.00) CDK9CCNT1CASP3CASP7
SCHEMBL16051054 1.00 CDK9 (1.00) CDK9CCNT1CASP3CASP7
SCHEMBL16052669 0.92 CDK9 (0.86) CDK9CCNT1
SCHEMBL16052672 0.92 CDK9 (0.86) CDK9CCNT1
SCHEMBL16052668 0.92 CDK9 (0.86) CDK9CCNT1
SCHEMBL16052453 0.91 CDK9 (1.00) CDK9CCNT1
SCHEMBL16052213 0.91 CDK9 (1.00) CDK9CCNT1
SCHEMBL16052209 0.91 CDK9 (1.00) CDK9CCNT1
SCHEMBL16052211 0.91 CDK9 (1.00) CDK9CCNT1
SCHEMBL16052451 0.91 CDK9 (1.00) CDK9CCNT1

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 claimed
US-20160060257-A1 PYRROLO [2,3-B] PYRIDINE CDK9 KINASE INHIBITORS ABBVIE INC. (US) 2016-03-03 — — US claimed
EP-2970278-A1 PYRROLO[2,3-B]PYRIDINE CDK9 KINASE INHIBITORS AbbVie Inc. (US) 2016-01-20 — — EP claimed
WO-2014139328-A1 PYRROLO[2,3-B]PYRIDINE CDK9 KINASE INHIBITORS ABBVIE INC. (US) 2014-09-18 — — WO claimed
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
EP-2970278-A1 PYRROLO[2,3-B]PYRIDINE CDK9 KINASE INHIBITORS AbbVie Inc. (US) 2016-01-20 — — EP disclosed
WO-2014139328-A1 PYRROLO[2,3-B]PYRIDINE CDK9 KINASE INHIBITORS ABBVIE INC. (US) 2014-09-18 — — 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-20160060257-A1 PYRROLO [2,3-B] PYRIDINE CDK9 KINASE INHIBITORS CDK9, CDK19, CDK3 CDK9 1/4885CCNT1 36/4885CASP3 1035/4885

“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.

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