SCHEMBL901107

SCHEMBL901107

Cc1cc(OC(F)(F)F)ccc1F

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 5/20 0.46
PDE2A O00408 1/20 0.44
FFAR4 Q5NUL3 4/20 0.44
FFAR1 O14842 2/20 0.42
SCN5A Q14524 1/20 0.40
KIF11 P52732 1/20 0.40
TRPA1 O75762 1/20 0.39
CYP1A2 P05177 2/20 0.39
HRH4 Q9H3N8 1/20 0.39
HTR2A P28223 1/20 0.39
SLC6A4 P31645 1/20 0.39
KCNH2 Q12809 1/20 0.39
CES1 P23141 1/20 0.39
P2RX7 Q99572 2/20 0.38

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
SCHEMBL21900491 0.86 CETP (0.39) GPR3PDE2AFFAR4FFAR1SCN5A
SCHEMBL18355878 0.83 KIF11 (0.40) GPR3FFAR4KIF11HTR2ASLC6A4
SCHEMBL900910 0.83 PDE2A (0.47) GPR3PDE2AFFAR4FFAR1SCN5A
SCHEMBL171112 0.83 GPR3 (0.49) GPR3PDE2AFFAR4SCN5AKIF11
SCHEMBL30867033 0.83 GPR3 (0.49) GPR3PDE2AFFAR4SCN5AKIF11
SCHEMBL14534817 0.79 GPR3 (0.46) GPR3FFAR4FFAR1SCN5AKIF11
SCHEMBL15889082 0.78 CETP (0.35) GPR3PDE2AFFAR4FFAR1HTR2A
SCHEMBL2526660 0.78 GPR3 (0.45) GPR3PDE2AFFAR4SCN5AKIF11
SCHEMBL1221631 0.78 GPR3 (0.45) GPR3FFAR4SCN5AKIF11CYP1A2
SCHEMBL10153891 0.78 FFAR4 (0.49) GPR3PDE2AFFAR4FFAR1SCN5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230309388-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE Beijing Summer Sprout Technology Co., Ltd. (CN) 2023-09-28 US disclosed
US-20230303586-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-09-28 US disclosed
US-20230192661-A1 1, 4, 5, 6-TETRAHYDROPYRIMIDINE-2-AMINE DERIVATIVE UBE CORPORATION (JP) 2023-06-22 US disclosed
US-20230192661-A1 1, 4, 5, 6-TETRAHYDROPYRIMIDINE-2-AMINE DERIVATIVE UBE CORPORATION (JP) 2023-06-22 US disclosed
US-11664093-B2 Extrapolative prediction of enantioselectivity enabled by computer-driven workflow, new molecular representations and machine learning THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2023-05-30 US disclosed
WO-2022174253-A1 HPK1 ANTAGONISTS AND USES THEREOF Nimbus Saturn, Inc. (US) 2022-08-18 WO disclosed
US-11254666-B2 Compound as GLS1 inhibitor MEDSHINE DISCOVERY INC. (CN) 2022-02-22 US disclosed
EP-3704118-B1 AMINOIMIDAZOPYRIDAZINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2022-01-12 EP disclosed
EP-3715347-B1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS INCYTE HOLDINGS CORP (US) 2021-12-22 EP disclosed
EP-3193851-B1 COMBINATION THERAPIES FOR TREATMENT OF CANCER ARAXES PHARMA LLC (US) 2020-10-21 EP disclosed
US-8410099-B2 Substituted 1-benzyl-cinnolin-4(1H)-one derivatives, preparation thereof, and therapeutic use thereof SANOFI (FR) 2013-04-02 US disclosed
US-8410099-B2 Substituted 1-benzyl-cinnolin-4(1H)-one derivatives, preparation thereof, and therapeutic use thereof SANOFI (FR) 2013-04-02 US disclosed
WO-2012041858-A1 A PROCESS FOR THE SYNTHESIS OF THIO-TRIAZOLO-GROUP CONTAINING COMPOUNDS BASF SE (DE) 2012-04-05 WO disclosed
US-20110224190-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS INCYTE CORPORATION 2011-09-15 US disclosed
EP-2073816-B1 BORONIC ACIDS AND ESTERS AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS INC (US) 2011-09-14 EP disclosed
US-20110144115-A1 SUBSTITUTED 1-BENZYL-CINNOLIN-4(1H)-ONE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-06-16 US disclosed
US-20110144115-A1 SUBSTITUTED 1-BENZYL-CINNOLIN-4(1H)-ONE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-06-16 US disclosed
WO-2010004215-A2 SUBSTITUTED 1-BENZYL-CINNOLIN-4(1H)-ONE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-01-14 WO disclosed
EP-0075146-B1 BENZYL ESTERS WITH FLUOROSUBSTITUTED ETHER GROUPS, PROCESS FOR THEIR PREPARATION AND THEIR UTILISATION AS INSECTICIDES BAYER AG (DE) 1985-10-23 EP disclosed
EP-0075146-A1 Benzyl esters with fluorosubstituted ether groups, process for their preparation and their utilisation as insecticides BAYER AG (DE) 1983-03-30 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 (6 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-20230192661-A1 1, 4, 5, 6-TETRAHYDROPYRIMIDINE-2-AMINE DERIVATIVE DHFR, DPYD, CYP2D6 GPR3 1104/4885PDE2A 2400/4885FFAR4 2545/4885
US-20110144115-A1 SUBSTITUTED 1-BENZYL-CINNOLIN-4(1H)-ONE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF CNR1, CNR2, GPR18 GPR3 89/4885PDE2A 4108/4885FFAR4 243/4885
US-11254666-B2 Compound as GLS1 inhibitor GLS, GLS2, GLB1 GPR3 942/4885PDE2A 2068/4885FFAR4 2401/4885
US-20230309388-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE OCIAD1, OCIAD2, SLCO4C1 GPR3 2866/4885PDE2A 4751/4885FFAR4 2899/4885
US-20110224190-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS JAK1, JAK2, JAK3 GPR3 2932/4885PDE2A 1380/4885FFAR4 2998/4885
US-20230303586-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS GPR3 1429/4885PDE2A 4171/4885FFAR4 4549/4885

“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.