SCHEMBL1463745

SCHEMBL1463745

COC[C@@H]1C[C@@H](C(=O)Nc2cc(-c3ccc(F)c(NCC4(OC)CCOCC4)n3)c(Cl)cn2)CN1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 17/20 0.54
CCNT1 O60563 7/20 0.54
PIP5K1C O60331 1/20 0.35
PIK3CA P42336 1/20 0.35
CCNK O75909 1/20 0.35
CDK4 P11802 3/20 0.35
CDK2 P24941 2/20 0.35
CDK1 P06493 1/20 0.35
CCND1 P24385 2/20 0.35
CCNA2 P20248 1/20 0.34
ABL1 P00519 1/20 0.34

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
SCHEMBL1949578 0.88 CDK9 (0.59) CDK9CCNT1PIP5K1CPIK3CACCNK
SCHEMBL1463729 0.85 CDK9 (0.75) CDK9CCNT1
SCHEMBL1461797 0.81 CCNT1 (0.45) CDK9CCNT1CCNKCDK2CDK1
SCHEMBL1947567 0.81 CCNT1 (0.45) CDK9CCNT1CCNKCDK2CDK1
SCHEMBL10285489 0.80 CCNT1 (0.57) CDK9CCNT1CCNK
SCHEMBL1462988 0.80 CCNT1 (0.48) CDK9CCNT1CCNKCDK2CDK1
SCHEMBL10285637 0.79 CDK9 (0.48) CDK9CCNT1PIP5K1CPIK3CACCNK
SCHEMBL10285430 0.79 CCNT1 (0.42) CDK9CCNT1CCNKCDK2CDK1
SCHEMBL12820017 0.78 CCNT1 (0.41) CDK9CCNT1CCNKCDK2CDK1
SCHEMBL10285644 0.76 CDK9 (0.62) 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 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 CDK9 5/4885CCNT1 47/4885PIP5K1C 591/4885

“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.