SCHEMBL22005015

SCHEMBL22005015

Cc1cc2cc[nH]c2c(C2CCCNC2)n1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.40
▸ JAK1 P23458 1/20 0.40
▸ JAK3 P52333 1/20 0.40
▸ ROCK1 Q13464 1/20 0.38
▸ HTR2A P28223 2/20 0.37
▸ HTR2C P28335 1/20 0.36
▸ CHEK1 O14757 1/20 0.36
▸ CCNA2 P20248 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ CCNA1 P78396 1/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ DRD3 P35462 1/20 0.36

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
SCHEMBL22005002 0.77 HTR2A (0.45) JAK2JAK1JAK3HTR2AHTR2C
SCHEMBL22005425 0.74 RPLP1 (0.38) JAK2JAK1JAK3HTR2ACHEK1
SCHEMBL21604475 0.73 HTR2A (0.46) HTR2ADRD2DRD3
SCHEMBL21605728 0.73 HTR2A (0.46) HTR2ADRD2DRD3
SCHEMBL20281872 0.73 HTR2A (0.46) HTR2ADRD2DRD3
SCHEMBL21605767 0.71 CHEK1 (0.40) HTR2ACHEK1CCNA2CDK2CCNA1
SCHEMBL22004876 0.70 HTR2A (0.43) JAK2JAK1JAK3HTR2AHTR2C
SCHEMBL21604510 0.68 MAP3K12 (0.52) HTR2ACHEK1CCNA2CDK2CCNA1
SCHEMBL17817728 0.67 JAK2 (0.47) JAK2JAK1JAK3ROCK1
SCHEMBL6396966 0.66 HTR2A (0.41) HTR2ADRD2DRD3

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 JAK2 4862/4885JAK1 4787/4885JAK3 4817/4885

“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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