SCHEMBL21464095

SCHEMBL21464095

O=c1[nH]c2ccccc2n1-c1ccc(N2CC[C@H](O)C2)nc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 1/20 0.45
▸ MCHR1 Q99705 3/20 0.44
▸ MAPK8 P45983 2/20 0.41
▸ CDK4 P11802 2/20 0.40
▸ CDK6 Q00534 2/20 0.40
▸ PRKDC P78527 1/20 0.39
▸ CHRM2 P08172 1/20 0.39
▸ CHRM4 P08173 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ CHRM3 P20309 1/20 0.39
▸ JAK3 P52333 2/20 0.39
▸ SLC18A3 Q16572 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ USP14 P54578 1/20 0.38
▸ AURKA O14965 1/20 0.38
▸ CXCR3 P49682 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ MAP4K1 Q92918 1/20 0.37

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
SCHEMBL21464106 1.00 TNKS (0.45) TNKSMCHR1MAPK8CDK4CDK6
SCHEMBL21464096 1.00 TNKS (0.45) TNKSMCHR1MAPK8CDK4CDK6
SCHEMBL30615602 1.00 TNKS (0.45) TNKSMCHR1MAPK8CDK4CDK6
SCHEMBL30615332 1.00 TNKS (0.45) TNKSMCHR1MAPK8CDK4CDK6
SCHEMBL21463400 0.84 MCHR1 (0.46) TNKSMCHR1
SCHEMBL30615420 0.84 MCHR1 (0.46) TNKSMCHR1
SCHEMBL21463402 0.84 MCHR1 (0.46) TNKSMCHR1
SCHEMBL28488276 0.82 TNKS (0.48) TNKSCHRM2CHRM4CHRM1CHRM3
SCHEMBL28488291 0.80 TNKS (0.48) TNKSCHRM2CHRM4CHRM1CHRM3
SCHEMBL21463922 0.80 ALDH1A1 (0.54) TNKSCHRM2CHRM4CHRM1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11802120-B2 Fused cyclic urea derivatives as CRHR2 antagonist RAQUALIA PHARMA INC. (JP) 2023-10-31 — — US disclosed
CN-111868037-B Fused cyclic urea derivatives as CRHR2 antagonists 拉夸里亚创药株式会社 2023-10-13 — — CN disclosed
EP-3774739-B1 FUSED CYCLIC UREA DERIVATIVES AS CRHR2 ANTAGONIST RAQUALIA PHARMA INC (JP) 2022-05-11 — — EP disclosed
US-20210078975-A1 FUSED CYCLIC UREA DERIVATIVES AS CRHR2 ANTAGONIST RAQUALIA PHARMA INC. (JP) 2021-03-18 — — US disclosed
EP-3774739-A1 FUSED CYCLIC UREA DERIVATIVES AS CRHR2 ANTAGONIST RaQualia Pharma Inc. (JP) 2021-02-17 — — EP disclosed
CN-111868037-A Fused cyclic urea derivatives as CRHR2 antagonists 拉夸里亚创药株式会社 2020-10-30 — — CN disclosed
WO-2019198692-A1 FUSED CYCLIC UREA DERIVATIVES AS CRHR2 ANTAGONIST RAQUALIA PHARMA INC. (JP) 2019-10-17 — — WO 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 (2 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-20210078975-A1 FUSED CYCLIC UREA DERIVATIVES AS CRHR2 ANTAGONIST CRHR2, CRHR1, CRH TNKS 4519/4885MCHR1 50/4885MAPK8 1935/4885
US-11802120-B2 Fused cyclic urea derivatives as CRHR2 antagonist CRHR2, CRHR1, CRH TNKS 4519/4885MCHR1 50/4885MAPK8 1935/4885

“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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