SCHEMBL22004876

SCHEMBL22004876

Cc1nc2[nH]ccc2cc1C1CCCNC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 6/20 0.43
▸ JAK2 O60674 2/20 0.43
▸ JAK1 P23458 2/20 0.43
▸ JAK3 P52333 1/20 0.43
▸ CHEK1 O14757 1/20 0.41
▸ CCNA2 P20248 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ CCNA1 P78396 1/20 0.41
▸ HTR2C P28335 4/20 0.39

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
SCHEMBL22004740 0.74 CHEK1 (0.43) HTR2ACHEK1CCNA2CDK2CCNA1
SCHEMBL22005002 0.72 HTR2A (0.45) HTR2AJAK2JAK1JAK3HTR2C
SCHEMBL22005015 0.70 JAK2 (0.40) HTR2AJAK2JAK1JAK3CHEK1
SCHEMBL22005019 0.70 CHEK1 (0.42) HTR2ACHEK1CCNA2CDK2CCNA1
SCHEMBL4063065 0.69 JAK2 (0.56) JAK2JAK1JAK3
SCHEMBL29777384 0.69 CHEK1 (0.46) HTR2ACHEK1CCNA2CDK2CCNA1
SCHEMBL21604607 0.68 HTR2A (0.46) HTR2AHTR2C
SCHEMBL21605728 0.66 HTR2A (0.46) HTR2A
SCHEMBL21604475 0.66 HTR2A (0.46) HTR2A
SCHEMBL20281872 0.66 HTR2A (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 HTR2A 1013/4885JAK2 4862/4885JAK1 4787/4885

“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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