SCHEMBL1947646

SCHEMBL1947646

CC1(C)CC(CNc2cnc(Cl)c(-c3cc(NC(=O)[C@H]4CNCCO4)ncc3Cl)c2)CCO1

nearest known ligand 0.80

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 17/20 0.80
CCNT1 O60563 6/20 0.80
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL10241828 0.92 CDK9 (0.67) CDK9CCNT1KDM4EALDH1A1GAA
SCHEMBL10241727 0.92 CDK9 (0.67) CDK9CCNT1KDM4EALDH1A1GAA
SCHEMBL1948930 0.89 CDK9 (1.00) CDK9CCNT1
SCHEMBL10285651 0.88 CCNT1 (0.62) CDK9CCNT1
SCHEMBL10241738 0.87 CDK9 (0.60) CDK9CCNT1
SCHEMBL10241715 0.87 CDK9 (0.60) CDK9CCNT1
SCHEMBL1946333 0.85 CCNT1 (0.58) CDK9CCNT1
SCHEMBL10285649 0.85 CCNT1 (0.58) CDK9CCNT1
SCHEMBL1462646 0.85 CCNT1 (0.58) CDK9CCNT1
SCHEMBL1946308 0.85 CCNT1 (0.58) 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-20110130380-A1 Heteroaryl Kinase Inhibitors NOVARTIS AG (CH) 2011-06-02 US disclosed
US-20110130380-A1 Heteroaryl Kinase Inhibitors NOVARTIS AG (CH) 2011-06-02 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-20110130380-A1 Heteroaryl Kinase Inhibitors CDK2, CDK1, CDKL1 CDK9 5/4885CCNT1 47/4885KDM4E 854/4885

“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.