SCHEMBL30198967

SCHEMBL30198967

CCN1CCN(C(=O)c2ccc(N)cc2F)CC1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CPS1 P31327 2/20 0.52
MTOR P42345 3/20 0.48
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 2/20 0.45
HTT P42858 2/20 0.45
LMNA P02545 2/20 0.45
PARP1 P09874 3/20 0.44
HRH4 Q9H3N8 1/20 0.43

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
SCHEMBL21245769 1.00 CPS1 (0.52) CPS1MTORKDM4EALDH1A1HTT
SCHEMBL22172219 0.85 CPS1 (0.48) CPS1MTORKDM4EALDH1A1HTT
SCHEMBL4936365 0.84 RAD52 (0.54) KDM4EALDH1A1HTTHRH4
SCHEMBL7878481 0.84 ALDH1A1 (0.55) CPS1MTORKDM4EALDH1A1HTT
SCHEMBL3396511 0.84 CPS1 (0.56) CPS1MTORKDM4ELMNAHRH4
SCHEMBL30309461 0.84 CPS1 (0.56) CPS1MTORKDM4ELMNAHRH4
SCHEMBL22172181 0.84 PIK3CA (0.49) CPS1MTORKDM4EALDH1A1HTT
SCHEMBL22164004 0.83 HRH4 (0.43) KDM4EALDH1A1LMNAHRH4
SCHEMBL4935992 0.83 ALDH1A1 (0.49) MTORALDH1A1LMNAHRH4
SCHEMBL30309520 0.83 ALDH1A1 (0.49) MTORALDH1A1LMNAHRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111377907-B Polysubstituted phenylamino pyrimidine derivative and preparation method and application thereof 杭州百新生物医药科技有限公司 2023-03-28 CN disclosed
US-20230062022-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS NUVATION BIO INC (US) 2023-03-02 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-20230062022-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK4, CDK6, CDK8 CPS1 2277/4885MTOR 94/4885KDM4E 969/4885

“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.