SCHEMBL29443162

SCHEMBL29443162

Cc1nc2c(F)cc(-c3nc(Nc4ccc(CN5CC6(C5)CS(=O)(=O)C6)cn4)ncc3F)cc2n1C(C)C

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 20/20 0.75
CDK6 Q00534 16/20 0.75
CDK2 P24941 14/20 0.75
CDK1 P06493 12/20 0.75
CCNB1 P14635 6/20 0.75
CCNE1 P24864 5/20 0.75
CDK7 P50613 5/20 0.75
CDK9 P50750 5/20 0.75
CCNA2 P20248 4/20 0.75
CCND3 P30281 4/20 0.75
KDR P35968 2/20 0.75
CIT O14578 1/20 0.75
GAK O14976 1/20 0.75
DYRK3 O43781 1/20 0.75
CCNT1 O60563 1/20 0.75
STK16 O75716 1/20 0.75
CCNK O75909 1/20 0.75
STK10 O94804 1/20 0.75
PRKD3 O94806 1/20 0.75
ABCB11 O95342 1/20 0.75

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
SCHEMBL29443169 0.92 CDK4 (0.80) CDK4CDK6CDK2CDK1CCNB1
SCHEMBL21658995 0.92 CDK4 (0.80) CDK4CDK6CDK2CDK1CCNB1
SCHEMBL21658862 0.90 CDK4 (0.78) CDK4CDK6CDK2CDK1CCNB1
SCHEMBL29443148 0.90 CDK4 (0.78) CDK4CDK6CDK2CDK1CCNB1
SCHEMBL17489239 0.90 CDK4 (0.77) CDK4CDK6CDK2CDK1CCNB1
SCHEMBL21658994 0.90 CDK4 (0.77) CDK4CDK6CDK2CDK1CCNB1
SCHEMBL17489277 0.90 CDK4 (0.77) CDK4CDK6CDK2CDK1CCNB1
SCHEMBL17488683 0.90 CDK4 (0.82) CDK4CDK6CDK2CDK1CCNB1
SCHEMBL17488674 0.88 CDK4 (0.79) CDK4CDK6CDK2CDK1CCNB1
SCHEMBL15252470 0.87 CDK6 (0.88) CDK4CDK6CDK2CDK1CCNB1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12486280-B2 CDK inhibitors and uses thereof CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2025-12-02 US disclosed
EP-3830082-B1 CDK INHIBITORS AND USES THEREOF CALIFORNIA INST OF TECHN (US) 2025-02-26 EP disclosed
US-20220106325-A1 CDK INHIBITORS AND USES THEREOF 1200 PHARMA LLC 2022-04-07 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 (2 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-20220106325-A1 CDK INHIBITORS AND USES THEREOF CDK6, CDK4, CDK3 CDK4 2/4885CDK6 1/4885CDK2 7/4885
US-12486280-B2 CDK inhibitors and uses thereof CDK6, CDK4, CDK3 CDK4 2/4885CDK6 1/4885CDK2 7/4885

“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.