SCHEMBL13994236

SCHEMBL13994236

Clc1ncnc2[nH]c(C3=CCNCC3)cc12

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 19/20 0.54
▸ CCNT1 O60563 18/20 0.54
▸ PRMT5 O14744 1/20 0.47

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
Hydrochloric Acid SCHEMBL5005714 0.99 CDK9 (0.53) CDK9CCNT1PRMT5
SCHEMBL27392613 0.81 DHFR (0.49) CDK9CCNT1
SCHEMBL31711740 0.81 DHFR (0.49) CDK9CCNT1
SCHEMBL5663694 0.80 CDK9 (0.68) CDK9CCNT1
Hydrochloric Acid SCHEMBL5662221 0.78 CDK9 (0.67) CDK9CCNT1
SCHEMBL5001756 0.77 CDK9 (0.51) CDK9CCNT1
SCHEMBL14646818 0.77 CCNT1 (0.47) CDK9CCNT1
SCHEMBL14646757 0.77 CSF1R (0.55) CDK9CCNT1
SCHEMBL5004913 0.76 CDK9 (0.43) CDK9CCNT1PRMT5
Hydrochloric Acid SCHEMBL16962704 0.75 CDK9 (0.42) CDK9CCNT1PRMT5

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
EP-2729466-B1 NOVEL PYRROLO PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2015-08-19 — — EP 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
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
US-7465726-B2 Substituted pyrrolo[2.3-B]pyridines OSI PHARMACEUTICALS, INC. (US) 2008-12-16 — — US disclosed
US-7465726-B2 Substituted pyrrolo[2.3-B]pyridines OSI PHARMACEUTICALS, INC. (US) 2008-12-16 — — 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-20140243306-A1 NOVEL PYRROLO PYRIMIDINE DERIVATIVES BTK, LCK, ZAP70 CDK9 180/4885CCNT1 1574/4885PRMT5 921/4885

“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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