SCHEMBL10242741

SCHEMBL10242741

C[C@H](Nc1cccc(-c2cc(NC(=O)C3CCCCC3)ncc2Cl)c1)C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 13/20 0.48
CCNT1 O60563 5/20 0.48
CDK4 P11802 5/20 0.48
CDK2 P24941 5/20 0.48
CCNA2 P20248 4/20 0.48
CCND1 P24385 4/20 0.48
JAK2 O60674 2/20 0.47
TYK2 P29597 2/20 0.47
ABL1 P00519 3/20 0.46
PIP5K1C O60331 1/20 0.45
PIK3CA P42336 1/20 0.45
JAK1 P23458 1/20 0.45
CDK1 P06493 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
SCHEMBL10241780 0.93 CDK9 (0.59) CDK9CCNT1
SCHEMBL10241774 0.85 CDK9 (0.58) CDK9CCNT1
SCHEMBL10241844 0.85 CDK9 (0.58) CDK9CCNT1
SCHEMBL10242731 0.81 CDK9 (0.49) CDK9PIP5K1CPIK3CA
SCHEMBL10242725 0.81 CDK9 (0.49) CDK9PIP5K1CPIK3CA
SCHEMBL1946411 0.77 CDK9 (0.59) CDK9CCNT1
SCHEMBL1947145 0.77 CDK9 (0.59) CDK9CCNT1
SCHEMBL10241711 0.76 CDK9 (0.60) CDK9CCNT1
SCHEMBL10242056 0.76 CDK9 (0.55) CDK9CCNT1ABL1PIP5K1CPIK3CA
SCHEMBL10244056 0.76 CDK9 (0.59) 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 80/4885CDK4 14/4885

“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.