SCHEMBL1947635

SCHEMBL1947635

CS(=O)(=O)N[C@@H]1CC[C@H](C(=O)Nc2cc(-c3nc(NCC4CCOCC4)ccc3Cl)c(Cl)cn2)C1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 15/20 0.62
CDK9 P50750 9/20 0.49
CCNK O75909 3/20 0.49
CDK4 P11802 2/20 0.44
CCNA2 P20248 2/20 0.44
CCND1 P24385 2/20 0.44
CDK2 P24941 2/20 0.44

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
SCHEMBL1462024 1.00 CCNT1 (0.62) CCNT1CDK9CCNKCDK4CCNA2
SCHEMBL1946347 0.93 CCNT1 (0.62) CCNT1CDK9CCNK
SCHEMBL10285968 0.92 CCNT1 (0.59) CCNT1CDK9CCNKCDK4CCNA2
SCHEMBL10285772 0.92 CCNT1 (0.59) CCNT1CDK9CCNKCDK4CCNA2
SCHEMBL1949728 0.92 CCNT1 (0.60) CCNT1CDK9CCNK
SCHEMBL10241782 0.88 CCNT1 (0.54) CCNT1CDK9CCNKCDK4CCNA2
SCHEMBL10241834 0.88 CCNT1 (0.54) CCNT1CDK9CCNKCDK4CCNA2
SCHEMBL1947988 0.88 CCNT1 (0.70) CCNT1CDK9CCNK
SCHEMBL1948792 0.88 CCNT1 (0.62) CCNT1CDK9CCNK
SCHEMBL10285394 0.88 CCNT1 (0.75) CCNT1CDK9CCNKCDK4CCNA2

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-20110130380-A1 Heteroaryl Kinase Inhibitors NOVARTIS AG (CH) 2011-06-02 US claimed
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
WO-2011026911-A1 BIPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2011-03-10 WO 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 CCNT1 47/4885CDK9 5/4885CCNK 21/4885

“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.