SCHEMBL10241797

SCHEMBL10241797

COC(=O)N[C@@H]1CC[C@H](C(=O)Nc2cc(-c3cc(NCC4CCOCC4)ccc3Cl)c(Cl)cn2)C1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 15/20 0.51
CCNT1 O60563 9/20 0.51
CCNK O75909 3/20 0.49
ABL1 P00519 1/20 0.48
CDK1 P06493 1/20 0.46
CDK4 P11802 1/20 0.46
CDK2 P24941 1/20 0.46

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
SCHEMBL10241799 1.00 CDK9 (0.51) CDK9CCNT1CCNKABL1CDK1
SCHEMBL1947126 0.88 CCNT1 (0.62) CDK9CCNT1CCNK
SCHEMBL1948792 0.88 CCNT1 (0.62) CDK9CCNT1CCNK
SCHEMBL10241724 0.87 CDK9 (0.61) CDK9CCNT1CCNKABL1
SCHEMBL10241834 0.87 CCNT1 (0.54) CDK9CCNT1CCNKABL1CDK4
SCHEMBL10241782 0.87 CCNT1 (0.54) CDK9CCNT1CCNKABL1CDK4
SCHEMBL10241795 0.87 CDK9 (0.51) CDK9CCNT1CCNKABL1
SCHEMBL10241767 0.86 CDK9 (0.55) CDK9CCNT1CCNKABL1
SCHEMBL10241704 0.86 CDK9 (0.55) CDK9CCNT1CCNKABL1
SCHEMBL10242918 0.85 CDK9 (0.49) CDK9CCNT1CCNKABL1

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-20120157433-A1 Heteroaryl Compounds as Kinase Inhibitors PFISTER KEITH B (US) 2012-06-21 US disclosed
WO-2011026917-A1 HETEROARYL COMPOUNDS AS KINASE INHIBITORS 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-20120157433-A1 Heteroaryl Compounds as Kinase Inhibitors CDK2, CDK1, CDK6 CDK9 6/4885CCNT1 80/4885CCNK 27/4885

“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.