SCHEMBL16049023

SCHEMBL16049023

CN(C)C(=O)N1CC=C(c2cc3c(-c4cccc(F)c4F)ncnc3[nH]2)CC1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 18/20 0.63
▸ CCNT1 O60563 2/20 0.61
▸ CDK9 P50750 2/20 0.61

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
SCHEMBL14646842 0.85 BTK (0.68) BTK
SCHEMBL14646741 0.84 BTK (0.72) BTKCCNT1CDK9
SCHEMBL14645726 0.83 BTK (0.72) BTK
SCHEMBL14646746 0.83 BTK (0.69) BTK
SCHEMBL16049399 0.82 BTK (0.66) BTKCCNT1CDK9
SCHEMBL14645723 0.81 BTK (0.70) BTK
SCHEMBL14646806 0.79 CCNT1 (0.58) BTKCCNT1CDK9
SCHEMBL14646742 0.78 BTK (1.00) BTK
SCHEMBL14645623 0.78 BTK (1.00) BTK
SCHEMBL14645752 0.77 BTK (1.00) BTK

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-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
EP-2970299-A1 PYRROLOPYRIMINDINE CDK9 KINASE INHIBITORS Abbvie Inc. (US) 2016-01-20 — — EP disclosed
WO-2014160028-A1 PYRROLOPYRIMINDINE CDK9 KINASE INHIBITORS ABBVIE INC. (US) 2014-10-02 — — WO 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 BTK 844/4885CCNT1 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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