SCHEMBL21499202

SCHEMBL21499202

Fc1cnc(Nc2ccc(CN3CCN4CCC[C@@H]4C3)cn2)nc1-c1cc(F)c2nc3n(c2c1)CCC3

nearest known ligand 0.75

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 20/20 0.75
CCND3 P30281 20/20 0.75
CDK6 Q00534 17/20 0.75
CDK1 P06493 14/20 0.75
CCNT1 O60563 2/20 0.62
CCNE1 P24864 2/20 0.62
CDK2 P24941 2/20 0.62
CDK7 P50613 2/20 0.62
CDK9 P50750 2/20 0.62
CCNH P51946 2/20 0.62
CCNA2 P20248 4/20 0.60

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
SCHEMBL18191700 0.88 CDK4 (0.73) CDK4CCND3CDK6CDK1CCNT1
SCHEMBL20528183 0.88 CDK4 (0.79) CDK4CCND3CDK6CDK1CCNT1
SCHEMBL18191681 0.88 CDK4 (0.79) CDK4CCND3CDK6CDK1CCNT1
SCHEMBL18191712 0.88 CDK4 (0.73) CDK4CCND3CDK6CDK1CCNT1
SCHEMBL18191752 0.88 CDK4 (0.86) CDK4CCND3CDK6CDK1CDK2
SCHEMBL29686798 0.88 CDK4 (0.70) CDK4CCND3CDK6CDK1CCNT1
SCHEMBL18191753 0.88 CDK4 (0.70) CDK4CCND3CDK6CDK1CCNT1
SCHEMBL21499040 0.87 CDK4 (0.65) CDK4CCND3CDK6CDK1CCNT1
SCHEMBL20528275 0.87 CDK4 (0.65) CDK4CCND3CDK6CDK1CCNT1
SCHEMBL18191696 0.87 CDK4 (0.65) CDK4CCND3CDK6CDK1CCNT1

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-10450316-B2 Certain protein kinase inhibitor Chongqing Fochon Pharmaceutical Co., Ltd. (CN) 2019-10-22 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-10450316-B2 Certain protein kinase inhibitor CDK4, CDK6, CDK2 CDK4 1/4885CCND3 96/4885CDK6 2/4885

“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.