SCHEMBL16040674

SCHEMBL16040674

Nc1ccc(F)c(-c2ccnc3[nH]c(C4CCNCC4)cc23)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 20/20 1.00
▸ CCNT1 O60563 19/20 1.00
▸ CDK1 P06493 1/20 0.60
▸ CDK2 P24941 1/20 0.60
▸ CASP3 P42574 1/20 0.60
▸ GSK3B P49841 1/20 0.60
▸ CDK7 P50613 1/20 0.60
▸ CASP7 P55210 1/20 0.60

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
SCHEMBL16041405 0.86 CCNT1 (0.75) CDK9CCNT1CASP3CASP7
SCHEMBL16051697 0.81 CCNT1 (0.78) CDK9CCNT1
SCHEMBL16052432 0.81 CCNT1 (0.69) CDK9CCNT1
SCHEMBL16051003 0.79 CCNT1 (1.00) CDK9CCNT1
SCHEMBL16050697 0.79 CCNT1 (1.00) CDK9CCNT1
SCHEMBL16040549 0.79 CCNT1 (1.00) CDK9CCNT1
SCHEMBL16052456 0.79 CCNT1 (1.00) CDK9CCNT1
SCHEMBL16050943 0.79 CCNT1 (1.00) CDK9CCNT1
SCHEMBL16051416 0.78 CCNT1 (1.00) CDK9CCNT1
SCHEMBL16043010 0.78 CCNT1 (1.00) CDK9CCNT1CDK1CDK2CASP3

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 12 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-2970264-A1 PYRROLO[2,3-B]PYRIDINE CDK9 KINASE INHIBITORS AbbVie Inc. (US) 2016-01-20 — — EP disclosed
EP-2970278-A1 PYRROLO[2,3-B]PYRIDINE CDK9 KINASE INHIBITORS AbbVie Inc. (US) 2016-01-20 — — EP disclosed
US-9073922-B2 Pyrrolo[2,3-B]pyridine CDK9 kinase inhibitors ABBVIE, INC. (US) 2015-07-07 — — US disclosed
WO-2014151444-A1 PYRROLO[2,3-B]PYRIDINE CDK9 KINASE INHIBITORS ABBVIE INC. (US) 2014-09-25 — — WO disclosed
US-20140275027-A1 PYRROLO[2,3-B]PYRIDINE CDK9 KINASE INHIBITORS ABBVIE 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

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 CDK9 1/4885CCNT1 36/4885CDK1 5/4885
US-20140275027-A1 PYRROLO[2,3-B]PYRIDINE CDK9 KINASE INHIBITORS CDK9, CDK19, CDK3 CDK9 1/4885CCNT1 36/4885CDK1 5/4885

“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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