SCHEMBL27089928

SCHEMBL27089928

Cc1nc2c(F)cc(-c3nc(Nc4ccc(N)cc4)ncc3F)cc2n1C(C)C

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 19/20 0.68
CDK2 P24941 14/20 0.68
CDK1 P06493 9/20 0.68
CCNB1 P14635 6/20 0.68
CCNA2 P20248 3/20 0.68
CCND3 P30281 3/20 0.68
KDR P35968 2/20 0.68
HDAC1 Q13547 2/20 0.67
HDAC6 Q9UBN7 2/20 0.67
HDAC3 O15379 1/20 0.67
HDAC10 Q969S8 1/20 0.67
CCNE1 P24864 5/20 0.64
CDK6 Q00534 13/20 0.61
CDK7 P50613 4/20 0.61
CDK9 P50750 4/20 0.61
EGFR P00533 2/20 0.58
CIT O14578 1/20 0.58
GAK O14976 1/20 0.58
DYRK3 O43781 1/20 0.58
CCNT1 O60563 1/20 0.58

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
SCHEMBL30631120 1.00 CDK4 (0.68) CDK4CDK2CDK1CCNB1CCNA2
Hydrochloric Acid SCHEMBL31371275 0.99 CDK4 (0.67) CDK4CDK2CDK1CCNB1CCNA2
SCHEMBL26755385 0.89 CDK4 (0.68) CDK4CDK2CDK1CCNB1CCNA2
SCHEMBL26753932 0.89 CDK4 (0.68) CDK4CDK2CDK1CCNB1CCNA2
SCHEMBL30631091 0.85 CDK4 (0.63) CDK4CDK2CDK1CCNB1CCNA2
SCHEMBL26633437 0.85 CDK4 (0.63) CDK4CDK2CDK1CCNB1CCNA2
SCHEMBL28930875 0.84 CDK4 (0.62) CDK4CDK2CDK1CCNB1CCNA2
SCHEMBL29019943 0.84 CDK4 (0.60) CDK4CDK2CDK1CCNB1CCNA2
SCHEMBL30631113 0.84 CDK4 (0.61) CDK4CDK2CDK1CCNB1CCNA2
SCHEMBL26633414 0.84 CDK4 (0.61) CDK4CDK2CDK1CCNB1CCNA2

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-20240050577-A1 CDK INHIBITORS AND PHARMACEUTICAL USES THEREOF RISEN (SHANGHAI) PHARMA ENG CO., LTD. (CN) 2024-02-15 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-20240050577-A1 CDK INHIBITORS AND PHARMACEUTICAL USES THEREOF CDKL1, CDKL2, CDKL3 CDK4 13/4885CDK2 9/4885CDK1 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.