SCHEMBL1944784

SCHEMBL1944784

CC1(C)CO[C@@H](CNc2nc(-c3cc(NC(=O)[C@@H]4CCCNC4)ncc3Cl)ccc2F)CO1

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 20/20 0.72
CCNT1 O60563 2/20 0.72

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
SCHEMBL1462599 1.00 CDK9 (0.72) CDK9CCNT1
SCHEMBL12565548 1.00 CDK9 (0.72) CDK9CCNT1
SCHEMBL1948903 1.00 CDK9 (0.72) CDK9CCNT1
SCHEMBL10285638 0.91 CDK9 (0.59) CDK9CCNT1
SCHEMBL10285311 0.91 CDK9 (0.59) CDK9CCNT1
SCHEMBL12566331 0.90 CDK9 (0.74) CDK9CCNT1
SCHEMBL1946505 0.90 CDK9 (0.74) CDK9CCNT1
SCHEMBL1946076 0.90 CDK9 (0.74) CDK9CCNT1
SCHEMBL1463019 0.90 CDK9 (0.74) CDK9CCNT1
SCHEMBL1946151 0.88 CCNT1 (0.55) 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 47/4885

“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.