SCHEMBL22004740

SCHEMBL22004740

Cc1nc2c(ccn2C)cc1C1CCCNC1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 6/20 0.43
▸ CCNA2 P20248 5/20 0.43
▸ CDK2 P24941 5/20 0.43
▸ CCNA1 P78396 5/20 0.43
▸ HTR2A P28223 2/20 0.41
▸ IKBKB O14920 4/20 0.39
▸ CHUK O15111 1/20 0.38

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
SCHEMBL22005019 0.81 CHEK1 (0.42) CHEK1CCNA2CDK2CCNA1HTR2A
SCHEMBL22005415 0.77 DDB1 (0.48) CHEK1CCNA2CDK2CCNA1
SCHEMBL22004876 0.74 HTR2A (0.43) CHEK1CCNA2CDK2CCNA1HTR2A
SCHEMBL22005063 0.73 HTR2A (0.40) CHEK1CCNA2CDK2CCNA1HTR2A
SCHEMBL22005425 0.72 RPLP1 (0.38) CHEK1CCNA2CDK2CCNA1HTR2A
SCHEMBL22005006 0.68 RPLP1 (0.39) HTR2A
SCHEMBL29777384 0.68 CHEK1 (0.46) CHEK1CCNA2CDK2CCNA1HTR2A
SCHEMBL11223267 0.67 HTR6 (0.47) HTR2A
SCHEMBL24711141 0.66 DDB1 (0.48) HTR2A
Hydrochloric Acid SCHEMBL11228096 0.66 HTR6 (0.46) HTR2A

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-20200157092-A1 [1,2,4]-TRIAZOLO [1,5-A]-PYRIMIDINYL DERIVATIVES SUBSTITUTED WITH PIPERIDINE, MORPHOLINE OR PIPERAZINE AS OGA INHIBITORS Janssen Pharmaceutlca NV (BE) 2020-05-21 — — 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-20200157092-A1 [1,2,4]-TRIAZOLO [1,5-A]-PYRIMIDINYL DERIVATIVES SUBSTITUTED WITH PIPERIDINE, MORPHOLINE OR PIPERAZINE AS OGA INHIBITORS OGA, PSEN1, PSEN2 CHEK1 358/4885CCNA2 965/4885CDK2 834/4885

“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.

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