SCHEMBL10241787

SCHEMBL10241787

O=C(Nc1cc(-c2cccc(NCC3CCOCC3)c2)c(Cl)cn1)[C@H]1CCCO1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 14/20 0.58
CCNT1 O60563 5/20 0.58
JAK2 O60674 1/20 0.49
TYK2 P29597 1/20 0.49
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
KDM4E B2RXH2 1/20 0.46
USP2 O75604 1/20 0.46
MAPK1 P28482 1/20 0.46
AHR P35869 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PIP5K1C O60331 1/20 0.45
PIK3CA P42336 1/20 0.45
CCNK O75909 1/20 0.45

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
SCHEMBL10241716 1.00 CDK9 (0.58) CDK9CCNT1JAK2TYK2HPGD
SCHEMBL10242056 0.90 CDK9 (0.55) CDK9CCNT1PIP5K1CPIK3CA
SCHEMBL10242899 0.89 CDK9 (0.54) CDK9CCNT1PIP5K1CPIK3CA
SCHEMBL10242968 0.89 CDK9 (0.75) CDK9CCNT1
SCHEMBL10242092 0.87 CDK9 (0.52) CDK9CCNT1PIP5K1CPIK3CA
SCHEMBL10241826 0.86 CDK9 (0.62) CDK9CCNT1PIP5K1CPIK3CA
SCHEMBL10242883 0.86 CDK9 (0.52) CDK9CCNT1CCNK
SCHEMBL10242727 0.85 CDK9 (0.62) CDK9CCNT1
SCHEMBL10241768 0.85 CDK9 (0.58) CDK9CCNT1
SCHEMBL10242088 0.85 CDK9 (0.58) 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 CDK9 6/4885CCNT1 80/4885JAK2 193/4885

“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.