SCHEMBL14646806

SCHEMBL14646806

CN(C)C(=O)N1CC=C(c2cc3c(Cl)ncnc3[nH]2)CC1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 1/20 0.58
▸ CDK9 P50750 1/20 0.58
▸ BTK Q06187 19/20 0.55

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
SCHEMBL5008327 0.87 CCNT1 (0.45) CCNT1CDK9BTK
SCHEMBL14500649 0.84 CCNT1 (0.67) CCNT1CDK9BTK
SCHEMBL5005001 0.82 CCNT1 (0.58) CCNT1CDK9BTK
SCHEMBL18979740 0.79 CCNT1 (0.51) CCNT1CDK9BTK
SCHEMBL14645726 0.79 BTK (0.72) BTK
SCHEMBL16049023 0.79 BTK (0.63) CCNT1CDK9BTK
SCHEMBL14646746 0.79 BTK (0.69) BTK
SCHEMBL5005732 0.78 CCNT1 (0.58) CCNT1CDK9BTK
SCHEMBL14646842 0.77 BTK (0.68) BTK
SCHEMBL14645723 0.77 BTK (0.70) 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 10 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 disclosed
EP-2970299-A1 PYRROLOPYRIMINDINE CDK9 KINASE INHIBITORS Abbvie Inc. (US) 2016-01-20 — — EP disclosed
US-9233111-B2 Pyrrolo pyrimidine derivatives NOVARTIS AG (CH) 2016-01-12 — — US disclosed
US-9233111-B2 Pyrrolo pyrimidine derivatives NOVARTIS AG (CH) 2016-01-12 — — US disclosed
EP-2729466-B1 NOVEL PYRROLO PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2015-08-19 — — 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
US-20140243306-A1 NOVEL PYRROLO PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2014-08-28 — — US disclosed
US-20140243306-A1 NOVEL PYRROLO PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2014-08-28 — — US disclosed
WO-2013008095-A1 NOVEL PYRROLO PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2013-01-17 — — 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-20140243306-A1 NOVEL PYRROLO PYRIMIDINE DERIVATIVES BTK, LCK, ZAP70 CCNT1 1574/4885CDK9 180/4885BTK 1/4885
US-20140275004-A1 PYRROLOPYRIMINDINE CDK9 KINASE INHIBITORS CDK9, CDK19, CDK3 CCNT1 36/4885CDK9 1/4885BTK 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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