SCHEMBL10241834

SCHEMBL10241834

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

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 10/20 0.54
CDK9 P50750 12/20 0.51
ABL1 P00519 1/20 0.48
CCNK O75909 3/20 0.48
CDK4 P11802 2/20 0.43
CCNA2 P20248 2/20 0.43
CCND1 P24385 2/20 0.43
CDK2 P24941 2/20 0.43
PIP5K1C O60331 1/20 0.43
PIK3CA P42336 1/20 0.43

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
SCHEMBL10241782 1.00 CCNT1 (0.54) CCNT1CDK9ABL1CCNKCDK4
SCHEMBL10241795 0.93 CDK9 (0.51) CCNT1CDK9ABL1CCNKPIP5K1C
SCHEMBL10242918 0.92 CDK9 (0.49) CCNT1CDK9ABL1CCNKPIP5K1C
SCHEMBL1947635 0.88 CCNT1 (0.62) CCNT1CDK9CCNKCDK4CCNA2
SCHEMBL1462024 0.88 CCNT1 (0.62) CCNT1CDK9CCNKCDK4CCNA2
SCHEMBL10241724 0.87 CDK9 (0.61) CCNT1CDK9ABL1CCNKPIP5K1C
SCHEMBL10241797 0.87 CDK9 (0.51) CCNT1CDK9ABL1CCNKCDK4
SCHEMBL10241799 0.87 CDK9 (0.51) CCNT1CDK9ABL1CCNKCDK4
SCHEMBL10241704 0.86 CDK9 (0.55) CCNT1CDK9ABL1CCNK
SCHEMBL10241767 0.86 CDK9 (0.55) CCNT1CDK9ABL1CCNK

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 CCNT1 80/4885CDK9 6/4885ABL1 97/4885

“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.