SCHEMBL4098385

SCHEMBL4098385

Cc1ccc(-n2c(=O)[nH]c3ccccc32)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.56
GABRP O00591 3/20 0.53
GABRD O14764 3/20 0.53
GABRA1 P14867 3/20 0.53
GABRB1 P18505 3/20 0.53
GABRG2 P18507 3/20 0.53
GABRB3 P28472 3/20 0.53
GABRA5 P31644 3/20 0.53
GABRA3 P34903 3/20 0.53
GABRA2 P47869 3/20 0.53
GABRB2 P47870 3/20 0.53
GABRA4 P48169 3/20 0.53
GABRE P78334 3/20 0.53
GABRA6 Q16445 3/20 0.53
GABRG1 Q8N1C3 3/20 0.53
GABRG3 Q99928 3/20 0.53
GABRQ Q9UN88 3/20 0.53
TNKS O95271 1/20 0.52
LMNA P02545 3/20 0.51
KMT2A Q03164 3/20 0.51

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
SCHEMBL29367625 0.85 LMNA (0.65) AURKAGABRPGABRDGABRA1GABRB1
SCHEMBL699273 0.85 LMNA (0.65) AURKAGABRPGABRDGABRA1GABRB1
SCHEMBL6970729 0.83 GAA (0.64) LMNAKMT2AALDH1A1KDM4ETP53
SCHEMBL6037521 0.83 ALDH1A1 (0.50) LMNAKMT2AALDH1A1KDM4ETP53
SCHEMBL23119669 0.83 LMNA (0.67) AURKAGABRPGABRDGABRA1GABRB1
SCHEMBL9994946 0.83 HTT (0.56) AURKAGABRPGABRDGABRA1GABRB1
SCHEMBL11352988 0.83 DAO (0.60) AURKAGABRPGABRDGABRA1GABRB1
SCHEMBL8156714 0.83 GABRP (0.52) AURKAGABRPGABRDGABRA1GABRB1
SCHEMBL15082039 0.82 MEN1 (0.53) AURKATNKSLMNAKMT2AMEN1
SCHEMBL6002037 0.82 ALDH1A1 (0.68) GABRPGABRDGABRA1GABRB1GABRG2

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 25 patents — showing the first 20. 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
US-11802120-B2 Fused cyclic urea derivatives as CRHR2 antagonist RAQUALIA PHARMA INC. (JP) 2023-10-31 US disclosed
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
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
EP-1778670-A2 MEDICINAL USE OF RECEPTOR LIGANDS 7TM Pharma A/S (DK) 2007-05-02 EP disclosed
WO-2006010446-A2 MEDICINAL USE OF RECEPTOR LIGANDS 7TM PHARMA A/S (DK) 2006-02-02 WO disclosed
EP-1120420-B1 Triphendioxazine compounds CLARIANT FINANCE BVI LTD (VG) 2006-01-11 EP disclosed
US-6617453-B1 Preparing these triphendioxazine compounds by a cyclization step conducted in the presence of manganese dioxide and concentrated sulphuric acid. CLARIANT FINANCE (BVI) LIMITED (VG) 2003-09-09 US disclosed
EP-0911337-B1 Process for the preparation of triphendioxazine compounds CLARIANT FINANCE BVI LTD (VG) 2003-02-26 EP disclosed
US-6355795-B1 PIGMENTS POSSESSING HIGH FASTNESS TO SOLVENTS, MIGRATION AND LIGHT, WHICH HAVE GOOD THERMAL STABILITIES AND HIGH TINTING POWER AND ARE ALSO EASILY DISPERSIBLE CLARIANT FINANCE (BVI) LIMITED (BV) 2002-03-12 US disclosed
EP-1120420-A2 New triphendioxazine compounds Clariant Finance (BVI) Limited (VG) 2001-08-01 EP disclosed
EP-1120421-A2 New triphendioxazine compounds Clariant Finance (BVI) Limited (VG) 2001-08-01 EP disclosed
US-6255482-B1 PREPARING CHLORINE-CONTAINING TRIPHENDIOXAZINE COMPOUNDS USEFUL AS PIGMENTS POSSESSING HIGH FASTNESS TO SOLVENTS, MIGRATION, AND LIGHT, WHICH HAVE GOOD THERMAL STABILITIES AND HIGH TINTING POWER CLARIANT FINANCE (BVI) LIMITED (VG) 2001-07-03 US disclosed
EP-0911337-A1 New triphendioxazine compounds Clariant Finance (BVI) Limited (VG) 1999-04-28 EP 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 AURKA 4740/4885GABRP 731/4885GABRD 469/4885
US-11802120-B2 Fused cyclic urea derivatives as CRHR2 antagonist CRHR2, CRHR1, CRH AURKA 4740/4885GABRP 731/4885GABRD 469/4885

“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.