SCHEMBL10242098

SCHEMBL10242098

CC(C)S(=O)(=O)N1CCC[C@H](C(=O)Nc2cc(-c3cc(NC[C@H]4CCOC(C)(C)C4)ccc3Cl)c(Cl)cn2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 13/20 0.44
CCNT1 O60563 8/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
CDK1 P06493 1/20 0.38
CDK4 P11802 1/20 0.38
CCNB1 P14635 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
CDK7 P50613 1/20 0.38
CCNH P51946 1/20 0.38
MNAT1 P51948 1/20 0.38
CDK3 Q00526 1/20 0.38
CDK6 Q00534 1/20 0.38
CDK5 Q00535 1/20 0.38
ABL1 P00519 1/20 0.37

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
SCHEMBL10242077 1.00 CDK9 (0.44) CDK9CCNT1SMN1; SMN2KDM4EALDH1A1
SCHEMBL1948331 0.90 CCNT1 (0.47) CDK9CCNT1SMN1; SMN2
SCHEMBL1462530 0.90 CCNT1 (0.47) CDK9CCNT1SMN1; SMN2
SCHEMBL1464297 0.90 CCNT1 (0.47) CDK9CCNT1SMN1; SMN2
SCHEMBL1945132 0.90 CCNT1 (0.47) CDK9CCNT1SMN1; SMN2
SCHEMBL10285656 0.87 CDK9 (0.42) CDK9CCNT1SMN1; SMN2
SCHEMBL10285781 0.87 CDK9 (0.42) CDK9CCNT1SMN1; SMN2
SCHEMBL10242890 0.86 KDM4E (0.42) CDK9CCNT1KDM4EALDH1A1GAA
SCHEMBL10243777 0.86 KDM4E (0.42) CDK9CCNT1KDM4EALDH1A1GAA
SCHEMBL10241841 0.83 CDK9 (0.52) CDK9CCNT1SMN1; SMN2GAAABL1

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 1 patent. 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

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 80/4885SMN1; SMN2 2126/4885

“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.