SCHEMBL10241825

SCHEMBL10241825

O=C(Nc1cc(-c2cc(NCC3CCOCC3)ccc2Cl)c(Cl)cn1)[C@H]1CNCCOC1

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 17/20 0.65
CCNT1 O60563 4/20 0.65
ABL1 P00519 1/20 0.47

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
SCHEMBL10241764 1.00 CDK9 (0.65) CDK9CCNT1ABL1
SCHEMBL10242094 0.94 CDK9 (0.64) CDK9CCNT1ABL1
SCHEMBL10242734 0.94 CDK9 (0.64) CDK9CCNT1ABL1
SCHEMBL10242723 0.93 CDK9 (0.66) CDK9CCNT1ABL1
SCHEMBL1945690 0.91 CDK9 (0.78) CDK9CCNT1
SCHEMBL10241829 0.91 CDK9 (0.70) CDK9CCNT1
SCHEMBL10241781 0.90 CDK9 (0.67) CDK9CCNT1
SCHEMBL10241749 0.90 CDK9 (0.58) CDK9CCNT1
SCHEMBL10241724 0.89 CDK9 (0.61) CDK9CCNT1ABL1
SCHEMBL1947633 0.88 CDK9 (0.60) 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 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 80/4885ABL1 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.