SCHEMBL10243777

SCHEMBL10243777

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
CDK9 P50750 15/20 0.41
CCNT1 O60563 7/20 0.41
MAPK8 P45983 3/20 0.39
MAPK10 P53779 3/20 0.39
MAPK14 Q16539 3/20 0.39
CDK1 P06493 2/20 0.39
CDK4 P11802 2/20 0.39
CDK2 P24941 2/20 0.39
CCNB1 P14635 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK7 P50613 1/20 0.39
CCNH P51946 1/20 0.39
MNAT1 P51948 1/20 0.39
CDK3 Q00526 1/20 0.39
CDK6 Q00534 1/20 0.39

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
SCHEMBL10242890 1.00 KDM4E (0.42) KDM4EALDH1A1GAAMAPTMAPK1
SCHEMBL10241733 0.91 CDK9 (0.49) CDK9CCNT1ABL1
SCHEMBL1945776 0.89 CCNT1 (0.49) CDK9CCNT1
SCHEMBL1464592 0.89 CCNT1 (0.49) CDK9CCNT1
SCHEMBL1945498 0.89 CCNT1 (0.49) CDK9CCNT1
SCHEMBL10285428 0.86 CCNT1 (0.41) CDK9CCNT1
SCHEMBL10285657 0.86 CCNT1 (0.41) CDK9CCNT1
SCHEMBL10242098 0.86 CDK9 (0.44) KDM4EALDH1A1GAAMAPTMAPK1
SCHEMBL10242077 0.86 CDK9 (0.44) KDM4EALDH1A1GAAMAPTMAPK1
SCHEMBL10242065 0.82 CDK9 (0.50) 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 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 KDM4E 684/4885ALDH1A1 1961/4885GAA 623/4885

“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.