SCHEMBL14768765

SCHEMBL14768765

CNc1cc(C(F)(F)F)ccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.52
NOS2 P35228 1/20 0.52
MAPK1 P28482 1/20 0.51
ALDH1A1 P00352 2/20 0.50
GAA P10253 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SYK P43405 2/20 0.46
RIPK2 O43353 1/20 0.43
IDH2 P48735 2/20 0.43
ADRB2 P07550 1/20 0.43
RIOK2 Q9BVS4 1/20 0.43
TAS2R14 Q9NYV8 1/20 0.43
PROKR1 Q8TCW9 1/20 0.42
EGFR P00533 1/20 0.42
KIF11 P52732 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 1/20 0.41
PHGDH O43175 2/20 0.41
AR P10275 1/20 0.41

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
Hydrochloric Acid SCHEMBL29112824 0.98 NOS3 (0.50) NOS3NOS2MAPK1ALDH1A1GAA
Hydrochloric Acid SCHEMBL28908521 0.98 NOS3 (0.50) NOS3NOS2MAPK1ALDH1A1GAA
SCHEMBL2054606 0.82 ALDH1A1 (0.41) MAPK1ALDH1A1GAAL3MBTL1SYK
SCHEMBL29529077 0.81 MAPK1 (0.49) NOS3NOS2MAPK1ALDH1A1GAA
SCHEMBL19517547 0.81 MAPK1 (0.49) NOS3NOS2MAPK1ALDH1A1GAA
SCHEMBL28043122 0.80 KIF11 (0.53) PROKR1KIF11
SCHEMBL1443246 0.80 NOS3 (0.52) NOS3NOS2MAPK1ALDH1A1GAA
SCHEMBL3599740 0.80 NOS3 (0.57) NOS3NOS2MAPK1ALDH1A1GAA
SCHEMBL18469885 0.80 NOS3 (0.52) NOS3NOS2MAPK1ALDH1A1GAA
SCHEMBL27768801 0.80 NOS3 (0.52) NOS3NOS2MAPK1ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240072809-A1 ASGPR-BINDING COMPOUNDS FOR THE DEGRADATION OF EXTRACELLULAR PROTEINS AVILAR THERAPEUTICS, INC. (US) 2024-02-29 US disclosed
US-11819551-B2 ASGPR-binding compounds for the degradation of extracellular proteins AVILAR THERAPEUTICS, INC. (US) 2023-11-21 US disclosed
US-20230346951-A1 MOLECULAR DEGRADERS OF EXTRACELLULAR PROTEINS YALE UNIVERSITY 2023-11-02 US disclosed
US-20230346951-A1 MOLECULAR DEGRADERS OF EXTRACELLULAR PROTEINS YALE UNIVERSITY 2023-11-02 US disclosed
WO-2022083657-A1 SUBSTITUTED BENZO OR PYRIDOPYRIMIDINE AMINE INHIBITOR, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 苏州泽璟生物制药股份有限公司 2022-04-28 WO disclosed
US-11174250-B2 Substituted carboxamides as inhibitors of WDR5 protein-protein binding Propellon Therapeutics Inc. (CA) 2021-11-16 US disclosed
WO-2021159993-A1 INHIBITORS OF INTERLEUKIN-1 RECEPTOR ASSOCIATED KINASE (IRAK) /FMS-LIKE RECEPTOR TYROSINE KINASE (FLT3), PHARMACEUTICAL PRODUCTS THEREOF, AND METHODS THEREOF PHARMABLOCK SCIENCES (NANJING) , INC. (CN) 2021-08-19 WO disclosed
CN-107074805-B GLS1 inhibitors for the treatment of disease 德州大学系统董事会 2021-02-26 CN disclosed
WO-2020115683-A1 5-HYDROXY-7-OXABICYCLO[2.2.1]HEPTANE-2-CARBOXAMIDE DERIVATIVES FOR INDUCING CHONDROGENESIS FOR TREATING JOINT DAMAGE NOVARTIS AG (CH) 2020-06-11 WO disclosed
US-20190119264-A1 INHIBITORS OF WDR5 PROTEIN-PROTEIN BINDING Propellon Therapeutics Inc. (CA) 2019-04-25 US disclosed
US-20150274720-A1 Azaquinazoline Inhibitors Of Atypical Protein Kinase C WINDTREE THERAPEUTICS, INC. 2015-10-01 US disclosed
US-20150266856-A1 RORGamma Modulators EXELIXIS, INC. 2015-09-24 US disclosed
US-9108963-B2 Pyrazolopyridine, pyrazolopyrazine, pyrazolopyrimidine, pyrazolothiophene and pyrazolothiazole compounds as MGLUR4 allosteric potentiators, compositions, and methods of treating neurological dysfunction VANDERBILT UNIVERSITY (US) 2015-08-18 US disclosed
US-20130065895-A1 Pyrazolopyridine, Pyrazolopyrazine, Pyrazolopyrimidine, Pyrazolothiophene and Pyrazolothiazole Compounds as MGLUR4 Allosteric Potentiators, Compositions, and Methods of Treating Neurological Dysfunction VANDERBILT UNIVERSITY (US) 2013-03-14 US disclosed
CN-101711154-A carbamate compound KOSAN BIOSCIENCES INC 2010-05-19 CN 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 (7 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-11819551-B2 ASGPR-binding compounds for the degradation of extracellular proteins ASGR1, ENGASE, FCGR2A NOS3 4647/4885NOS2 4561/4885MAPK1 3337/4885
US-20150266856-A1 RORGamma Modulators RORB, RORA, RORC NOS3 912/4885NOS2 1681/4885MAPK1 3204/4885
US-11174250-B2 Substituted carboxamides as inhibitors of WDR5 protein-protein binding WDR5, WDR82, WDR1 NOS3 4490/4885NOS2 4385/4885MAPK1 2239/4885
US-20130065895-A1 Pyrazolopyridine, Pyrazolopyrazine, Pyrazolopyrimidine, Pyrazolothiophene and Pyrazolothiazole Compounds as MGLUR4 Allosteric Potentiators, Compositions, and Methods of Treating Neurological Dysfunction GRM4, GRIK4, GRIA4 NOS3 3405/4885NOS2 3431/4885MAPK1 1463/4885
US-20190119264-A1 INHIBITORS OF WDR5 PROTEIN-PROTEIN BINDING WDR5, WDR82, WDR1 NOS3 4515/4885NOS2 4476/4885MAPK1 1597/4885
US-20230346951-A1 MOLECULAR DEGRADERS OF EXTRACELLULAR PROTEINS ASGR1, MSR1, LDLR NOS3 3245/4885NOS2 2990/4885MAPK1 2363/4885
US-20150274720-A1 Azaquinazoline Inhibitors Of Atypical Protein Kinase C PRKCQ, PRKCA, PRKCZ NOS3 3277/4885NOS2 3454/4885MAPK1 189/4885

“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.