SCHEMBL25948848

SCHEMBL25948848

Cc1cn2c(C)cnc2c(C)n1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.33
CCND3 P30281 1/20 0.33
TGFBR1 P36897 1/20 0.32
IKBKB O14920 1/20 0.31
CHUK O15111 1/20 0.31
PDE10A Q9Y233 1/20 0.30
AKT1 P31749 1/20 0.30
AKT2 P31751 1/20 0.30

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
SCHEMBL29935573 0.83 PDE10A (0.38) CDK4CCND3TGFBR1PDE10A
SCHEMBL20934626 0.80 CDK4 (0.31) CDK4CCND3TGFBR1
SCHEMBL26254231 0.80 ADORA2A (0.42) CDK4CCND3TGFBR1IKBKBCHUK
SCHEMBL26254233 0.77 IKBKB (0.40) CDK4CCND3IKBKBPDE10A
SCHEMBL26254227 0.77 IKBKB (0.47) IKBKBCHUK
SCHEMBL19576038 0.70 CDK4 (0.33) CDK4CCND3
SCHEMBL19939415 0.70 ATP4A (0.34) CDK4CCND3AKT1AKT2
SCHEMBL19939410 0.68 BRD4 (0.43) AKT1AKT2
SCHEMBL18232238 0.68
SCHEMBL25948856 0.67 NOS3 (0.34) IKBKB

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-20230242533-A9 SUBSTITUTED FUSED HETEROAROMATIC BICYCLIC COMPOUNDS AS KINASE INHIBITORS AND THE USE THEREOF Impact Therapeutics (Shanghai), Inc (CN) 2023-08-03 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-20230242533-A9 SUBSTITUTED FUSED HETEROAROMATIC BICYCLIC COMPOUNDS AS KINASE INHIBITORS AND THE USE THEREOF ATR, CHEK1, CHEK2 CDK4 111/4885CCND3 668/4885TGFBR1 653/4885

“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.