SCHEMBL16041028

SCHEMBL16041028

COc1ccncc1-c1ccnc2[nH]c(C3CCN(C(=O)OC(C)(C)C)CC3)cc12

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 19/20 0.70
▸ CCNT1 O60563 17/20 0.70
▸ CCNK O75909 1/20 0.62
▸ CDK12 Q9NYV4 1/20 0.62
▸ CASP3 P42574 2/20 0.59
▸ CASP7 P55210 2/20 0.59

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
SCHEMBL16041785 0.90 CDK9 (0.70) CDK9CCNT1CCNKCDK12CASP3
SCHEMBL16039904 0.89 CDK9 (0.71) CDK9CCNT1CCNKCDK12CASP3
SCHEMBL16041611 0.88 CDK9 (0.85) CDK9CCNT1CASP3CASP7
SCHEMBL16041083 0.88 CDK9 (0.70) CDK9CCNT1CCNKCDK12CASP3
SCHEMBL16039733 0.87 CDK9 (0.71) CDK9CCNT1CCNKCDK12CASP3
SCHEMBL27382602 0.86 CDK9 (0.79) CDK9CCNT1CASP3CASP7
SCHEMBL16042926 0.86 CDK9 (0.66) CDK9CCNT1CCNKCDK12CASP3
SCHEMBL16040950 0.85 CDK9 (0.65) CDK9CCNT1CCNKCDK12CASP3
SCHEMBL16050566 0.84 CCNT1 (0.80) CDK9CCNT1CASP3CASP7
SCHEMBL16042306 0.84 CDK9 (0.68) CDK9CCNT1CCNKCDK12CASP3

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-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 CDK9 1/4885CCNT1 36/4885CCNK 20/4885
US-20140275027-A1 PYRROLO[2,3-B]PYRIDINE CDK9 KINASE INHIBITORS CDK9, CDK19, CDK3 CDK9 1/4885CCNT1 36/4885CCNK 24/4885

“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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