SCHEMBL21463944

SCHEMBL21463944

COc1ccc(-n2c(=O)[nH]c3ccncc32)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 1/20 0.44
▸ DAO P14920 1/20 0.44
▸ ITGB1 P05556 1/20 0.40
▸ ITGAV P06756 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ HPGD P15428 3/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ MAP3K11 Q16584 4/20 0.39
▸ PTGS1 P23219 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ GRM1 Q13255 2/20 0.37
▸ GRIN1 Q05586 1/20 0.37
▸ GRIN2B Q13224 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HIF1A Q16665 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
SCHEMBL30615344 1.00 TNKS (0.44) TNKSDAOITGB1ITGAVCYP2C9
SCHEMBL30615429 0.91 TNKS (0.44) TNKSCYP2C9KDM4EALDH1A1HPGD
SCHEMBL16657399 0.91 TNKS (0.44) TNKSCYP2C9KDM4EALDH1A1HPGD
SCHEMBL15551636 0.79 CYP2C9 (0.51) TNKSCYP2C9KDM4EALDH1A1HPGD
SCHEMBL1699090 0.79 DAO (0.62) TNKSDAOALDH1A1LMNAKMT2A
SCHEMBL21464054 0.79 PRKCQ (0.48) DAOALDH1A1MAP3K11GRIN1GRIN2B
SCHEMBL30615537 0.79 PRKCQ (0.48) DAOALDH1A1MAP3K11GRIN1GRIN2B
SCHEMBL21463356 0.76 ACHE (0.44) TNKSDAOKDM4EALDH1A1HPGD
SCHEMBL30615464 0.76 PDE4B (0.48) DAOCYP2C9KDM4EALDH1A1HPGD
SCHEMBL30615539 0.76 ACHE (0.44) TNKSDAOKDM4EALDH1A1HPGD

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 4519/4885DAO 4012/4885ITGB1 4882/4885
US-11802120-B2 Fused cyclic urea derivatives as CRHR2 antagonist CRHR2, CRHR1, CRH TNKS 4519/4885DAO 4012/4885ITGB1 4882/4885

“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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