SCHEMBL16048263

SCHEMBL16048263

CS(=O)(=O)N1CC=C(c2cc3c(-c4ccccc4C(F)(F)F)ncnc3[nH]2)CC1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 18/20 0.61
▸ CCNT1 O60563 17/20 0.61
▸ BTK Q06187 2/20 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
SCHEMBL16048242 0.88 CCNT1 (0.77) CDK9CCNT1BTK
SCHEMBL16052603 0.86 CCNT1 (0.78) CDK9CCNT1
SCHEMBL16049004 0.84 CCNT1 (0.77) CDK9CCNT1BTK
SCHEMBL16048468 0.82 CCNT1 (0.65) CDK9CCNT1BTK
SCHEMBL16048010 0.82 CCNT1 (0.75) CDK9CCNT1BTK
SCHEMBL16048861 0.82 CCNT1 (0.69) CDK9CCNT1
SCHEMBL16048959 0.81 CCNT1 (0.77) CDK9CCNT1BTK
SCHEMBL16047801 0.79 CDK9 (0.77) CDK9CCNT1BTK
SCHEMBL16048679 0.79 CCNT1 (0.77) CDK9CCNT1
SCHEMBL16049101 0.79 CCNT1 (0.76) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9346813-B2 Substituted pyrrolo[2,3-d]pyrimindines as CDK9 kinase inhibitors ABBVIE INC. (US) 2016-05-24 — — US claimed
US-20140275004-A1 PYRROLOPYRIMINDINE CDK9 KINASE INHIBITORS ABBVIE INC. 2014-09-18 — — US claimed
US-9346813-B2 Substituted pyrrolo[2,3-d]pyrimindines as CDK9 kinase inhibitors ABBVIE INC. (US) 2016-05-24 — — US disclosed
US-20140275004-A1 PYRROLOPYRIMINDINE 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 (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-20140275004-A1 PYRROLOPYRIMINDINE CDK9 KINASE INHIBITORS CDK9, CDK19, CDK3 CDK9 1/4885CCNT1 36/4885BTK 844/4885

“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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