SCHEMBL16546258

SCHEMBL16546258

O=CBN1CC=C(c2cc3c(Cl)ccnc3[nH]2)CC1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 20/20 0.48
▸ CCNT1 O60563 19/20 0.48
▸ CDC7 O00311 1/20 0.43
▸ PIM1 P11309 1/20 0.43

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
SCHEMBL16546262 0.87 CCNT1 (0.47) CDK9CCNT1
SCHEMBL29431058 0.79 CDK9 (0.59) CDK9CCNT1CDC7PIM1
SCHEMBL5663907 0.78 CCNT1 (0.53) CDK9CCNT1
SCHEMBL17534989 0.77 CCNT1 (0.76) CDK9CCNT1
SCHEMBL15586779 0.75 CCNT1 (0.52) CDK9CCNT1
SCHEMBL14500649 0.74 CCNT1 (0.67) CDK9CCNT1
SCHEMBL17906588 0.74 CCNT1 (0.49) CDK9CCNT1
SCHEMBL14500648 0.73 CCNT1 (0.51) CDK9CCNT1
SCHEMBL2085336 0.72 CDK9 (0.47) CDK9CCNT1CDC7PIM1
SCHEMBL5665564 0.72 CDK9 (0.66) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9233983-B2 Substituted hetero-bicyclic compounds, compositions and medicinal applications thereof ADVINUS THERAPEUTICS LIMITED (IN) 2016-01-12 — — US disclosed
US-20150064196-A1 Substituted Hetero-Bicyclic Compounds, Compositions and Medicinal Applications Thereof IMPETIS BIOSCIENCES LIMITED (IN) 2015-03-05 — — 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-20150064196-A1 Substituted Hetero-Bicyclic Compounds, Compositions and Medicinal Applications Thereof BTK, MALT1, LCK CDK9 121/4885CCNT1 324/4885CDC7 1545/4885

“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.

Send feedback