SCHEMBL10241771

SCHEMBL10241771

O=C(Nc1cc(-c2cccc(NCC3CCOCC3)c2)c(Cl)cn1)c1cccnc1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 16/20 0.65
CCNK O75909 2/20 0.51
CCNT1 O60563 4/20 0.49
PIK3CA P42336 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL10242721 0.87 CDK9 (0.49) CDK9CCNKCCNT1HDAC3HDAC1
SCHEMBL10242899 0.85 CDK9 (0.54) CDK9CCNT1PIK3CA
SCHEMBL10242883 0.85 CDK9 (0.52) CDK9CCNKCCNT1
SCHEMBL1946717 0.85 CCNT1 (0.63) CDK9CCNKCCNT1HDAC3HDAC1
SCHEMBL10285642 0.84 CCNT1 (0.64) CDK9CCNKCCNT1HDAC3HDAC1
SCHEMBL10242056 0.84 CDK9 (0.55) CDK9CCNT1PIK3CA
SCHEMBL10242714 0.83 CDK9 (0.50) CDK9CCNKCCNT1
SCHEMBL10242075 0.83 CDK9 (0.50) CDK9CCNKCCNT1
SCHEMBL10241826 0.82 CDK9 (0.62) CDK9CCNT1PIK3CA
SCHEMBL10242727 0.81 CDK9 (0.62) 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 6/4885CCNK 27/4885CCNT1 80/4885

“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.