SCHEMBL16042037

SCHEMBL16042037

COc1ccc(F)cc1-c1ccnc2[nH]c(C3CCN(CCNC(=O)O)C3)cc12

nearest known ligand 0.82

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 20/20 0.82
▸ CDK9 P50750 20/20 0.82

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
SCHEMBL16039758 0.93 CCNT1 (0.77) CCNT1CDK9
SCHEMBL16040606 0.91 CCNT1 (0.81) CCNT1CDK9
SCHEMBL17534962 0.88 CCNT1 (1.00) CCNT1CDK9
SCHEMBL16040672 0.88 CDK9 (1.00) CCNT1CDK9
SCHEMBL16041559 0.87 CCNT1 (1.00) CCNT1CDK9
SCHEMBL16041994 0.86 CCNT1 (1.00) CCNT1CDK9
SCHEMBL16051499 0.85 CDK9 (1.00) CCNT1CDK9
SCHEMBL16041393 0.85 CCNT1 (1.00) CCNT1CDK9
SCHEMBL16039315 0.84 CDK9 (1.00) CCNT1CDK9
SCHEMBL16040777 0.84 CCNT1 (1.00) CCNT1CDK9

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 6 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 CCNT1 36/4885CDK9 1/4885
US-20140275027-A1 PYRROLO[2,3-B]PYRIDINE CDK9 KINASE INHIBITORS CDK9, CDK19, CDK3 CCNT1 36/4885CDK9 1/4885

“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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