SCHEMBL1859320

SCHEMBL1859320

Brc1cccc(N(Cc2ccccc2)Cc2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.54
CRHR2 Q13324 1/20 0.54
TSHR P16473 3/20 0.50
NR3C1 P04150 2/20 0.50
PTPN1 P18031 2/20 0.49
CYP2C19 P33261 1/20 0.48
CYP1A2 P05177 2/20 0.46
MAPK1 P28482 1/20 0.46
MAOB P27338 1/20 0.44
NR1H2 P55055 1/20 0.44
NR1H3 Q13133 1/20 0.44
PTGES O14684 1/20 0.43
BCHE P06276 1/20 0.43
TAAR1 Q96RJ0 3/20 0.42
CYP2D6 P10635 2/20 0.42
LMNA P02545 2/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
PDE6A P16499 1/20 0.42

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
SCHEMBL11682124 0.90 TSHR (0.68) CRHBPCRHR2TSHRNR3C1CYP2C19
SCHEMBL10974928 0.86 CRHBP (0.68) CRHBPCRHR2TSHRNR3C1PTPN1
SCHEMBL28496421 0.84 CYP2C19 (0.52) CRHBPCRHR2TSHRNR3C1PTPN1
SCHEMBL20853609 0.81 HTT (0.48) CRHBPCRHR2TSHRMAOBNR1H2
SCHEMBL11685169 0.81 NR3C1 (0.45) CRHBPCRHR2TSHRNR3C1PTPN1
SCHEMBL1925718 0.79 RAB9A (0.51) CRHBPCRHR2TSHRPTGESKMT2A
SCHEMBL11164170 0.79 TSHR (0.68) TSHRNR3C1CYP2C19NR1H2NR1H3
SCHEMBL43183 0.79 TSHR (0.74) CRHBPCRHR2TSHRNR3C1PTPN1
SCHEMBL9809629 0.78 CRHBP (0.56) CRHBPCRHR2TSHRNR3C1PTPN1
SCHEMBL11794806 0.78 TSHR (0.55) CRHBPCRHR2TSHRNR3C1PTPN1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11767296-B2 Heteroaryl compounds as kinase inhibitor FUJIAN HAIXI PHARMACEUTICALS CO., LTD (CN) 2023-09-26 US disclosed
WO-2019174601-A1 HETEROARYL COMPOUNDS AS KINASE INHIBITOR FUJIAN HAIXI PHARMACEUTICALS CO., LTD (CN) 2019-09-19 WO disclosed
US-8859777-B2 4-fluoro-4-arylpiperdin-1-yl derivatives as mu opioid function moderators KINENTIA BIOSCIENCES LLC (US) 2014-10-14 US disclosed
US-20130045165-A1 4-FLUORO-4-ARYLPIPERDIN-1-YL DERIVATIVES AS MU OPIOID FUNCTION MODERATORS KINENTIA BIOSCIENCES, LLC (US) 2013-02-21 US disclosed
US-20110105544-A1 CARBOXYLIC DERIVATIVES FOR USE IN THE TREATMENT OF CANCER CRYSTAX PHARMACEUTICALS, S.L. (ES) 2011-05-05 US disclosed
US-7589095-B2 4-phenyl-pyrimidine-2-carbonitrile derivatives N.V. ORGANON (NL) 2009-09-15 US disclosed
US-7456195-B2 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-25 US disclosed
US-7456195-B2 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-25 US disclosed
US-7456195-B2 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-25 US disclosed
EP-1758870-B1 4-PHENYL-PYRIMIDINE-2-CARBONITRILE DERIVATIVES ORGANON NV (NL) 2008-08-13 EP disclosed
WO-2007002313-A2 PHENYLGLYCINAMIDE AND PYRIDYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 WO disclosed
EP-1479686-B1 Process for the preparation of aniline boronic acids and derivatives thereof ARCHIMICA GMBH (DE) 2006-10-04 EP disclosed
CN-1810812-A Silicon element-containing cationic chromophore and its derivative UNIV DALIAN SCIENCE & ENG (CN) 2006-08-02 CN disclosed
US-20050038287-A1 Preparation of Anilineboronic acids and derivatives thereof CLARIANT GMBH 2005-02-17 US disclosed
EP-1479686-A1 Process for the preparation of aniline boronic acids and derivatives thereof Clariant GmbH (DE) 2004-11-24 EP disclosed
US-6103912-A OPTICAL INFRARED FILTERS COMPRISING PH SENSITIVE DYES POLAROID CORPORATION (US) 2000-08-15 US disclosed
EP-0553346-B1 PHOTOGRAPHIC PRODUCTS AND PROCESSES POLAROID CORP (US) 1998-01-28 EP disclosed
US-5244771-A Bridged indicator dyes used as light-absorbing, pH-sensitive optical filter agents in diffusion transfer POLAROID CORPORATION (US) 1993-09-14 US disclosed
EP-0553346-A1 PHOTOGRAPHIC PRODUCTS AND PROCESSES POLAROID CORPORATION (US) 1993-08-04 EP disclosed
WO-1993004403-A1 PHOTOGRAPHIC PRODUCTS AND PROCESSES POLAROID CORPORATION (US) 1993-03-04 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 (4 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-11767296-B2 Heteroaryl compounds as kinase inhibitor RET, ERBB2, ABL1 CRHBP 4540/4885CRHR2 2129/4885TSHR 369/4885
US-20050038287-A1 Preparation of Anilineboronic acids and derivatives thereof C9, BLVRB, CBR3 CRHBP 3496/4885CRHR2 1085/4885TSHR 714/4885
US-20130045165-A1 4-FLUORO-4-ARYLPIPERDIN-1-YL DERIVATIVES AS MU OPIOID FUNCTION MODERATORS OPRD1, OPRK1, OPRM1 CRHBP 1702/4885CRHR2 1902/4885TSHR 282/4885
US-20110105544-A1 CARBOXYLIC DERIVATIVES FOR USE IN THE TREATMENT OF CANCER AKR1C3, TPD52L2, HCCS CRHBP 4401/4885CRHR2 1332/4885TSHR 1505/4885

“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.