SCHEMBL3963873

SCHEMBL3963873

N#Cc1c(F)c(F)c(Nc2ccccc2)c(F)c1C#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 6/20 0.44
ADORA2B P29275 2/20 0.44
ADORA2A P29274 5/20 0.44
HTT P42858 3/20 0.41
MAPT P10636 2/20 0.41
RECQL P46063 1/20 0.41
MAP2K1 Q02750 1/20 0.41
CXCR2 P25025 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 2/20 0.39
TSHR P16473 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
PTGS1 P23219 1/20 0.38
SLC6A2 P23975 1/20 0.38
MAPK1 P28482 1/20 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
SCHEMBL2455711 0.92 ADORA1 (0.46) ADORA1ADORA2BADORA2AHTTMAPT
SCHEMBL14318538 0.87 ADORA1 (0.43) ADORA1ADORA2BADORA2AHTTMAPT
SCHEMBL2453587 0.85 DHODH (0.46) ADORA1ADORA2BHTTMAPTALDH1A1
SCHEMBL2458090 0.82 MEN1 (0.47) ADORA1ADORA2AMAPTALDH1A1MEN1
SCHEMBL7868431 0.82 MAPT (0.44) HTTMAPTMAP2K1ALDH1A1TSHR
SCHEMBL4355262 0.80 HSD17B10 (0.55) HTTMAPTRECQLCXCR2ALDH1A1
SCHEMBL3793311 0.79 HSD17B10 (0.41) HTTMAPTCXCR2ALDH1A1HSD17B10
SCHEMBL7712954 0.79 DHODH (0.41) ADORA1ADORA2BADORA2AMAPTMAP2K1
SCHEMBL7868425 0.79 MEN1 (0.47) ADORA1ADORA2BADORA2AHTTRECQL
SCHEMBL7873475 0.79 ADORA1 (0.38) ADORA1ADORA2BADORA2AHTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11292835-A None JP disclosed
US-8937072-B2 Substituted cyanoaniline compounds, preparation and use thereof SINOCHEM CORPORATION (CN) 2015-01-20 US disclosed
US-20140213598-A1 SUBSTITUTED CYANOANILINE COMPOUNDS, PREPARATION AND USE THEREOF SHENYANG RESEARCH INSTITUTE OF CHEMICAL INDUSTRY CO., LTD. (CN) 2014-07-31 US disclosed
WO-2012171484-A1 SUBSTITUTED CYANOANILINE COMPOUNDS, PREPARATION AND USE THEREOF 中国中化股份有限公司 (CN) 2012-12-20 WO disclosed
US-7473777-B2 Method for production of halogen-containing phthalocyanine compound NIPPON SHOKUBAI CO., LTD. (JP) 2009-01-06 US disclosed
US-20050203293-A1 Method for production of halogen-containing phthalocyanine compound NIPPON SHOKUBAI CO., LTD. (JP) 2005-09-15 US disclosed
EP-0882768-B1 Method for producing of phthalocyanine compound NIPPON CATALYTIC CHEM IND (JP) 2001-12-19 EP disclosed
US-6034236-A REACTING A PHTHALONITRILE WITH A METAL OXIDE IN PRESENCE OF A SULFONIC ACID CATALYST NIPPON SHOKUBAI CO., LTD. (JP) 2000-03-07 US disclosed
JP-H11292835-A PRODUCTION OF AMINO-SUBSTITUTED PHTHALONITRILE COMPOUND NIPPON SHOKUBAI CO LTD 1999-10-26 JP disclosed
EP-0523959-B1 Novel phthalocyanine compounds, production method thereof, and near infrared ray absorption materials containing the same NIPPON CATALYTIC CHEM IND (JP) 1999-10-13 EP disclosed
EP-0882768-A2 Method for producing of phthalocyanine compound NIPPON SHOKUBAI CO., LTD. (JP) 1998-12-09 EP disclosed
US-5359056-A Lightfastness, solvent solubility NIPPON SHOKUBAI CO., LTD. (JP) 1994-10-25 US disclosed
EP-0523959-A2 Novel phthalocyanine compounds, production method thereof, and near infrared ray absorption materials containing the same NIPPON SHOKUBAI CO., LTD. (JP) 1993-01-20 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 (1 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-20140213598-A1 SUBSTITUTED CYANOANILINE COMPOUNDS, PREPARATION AND USE THEREOF CROCC, MASTL, SLC7A1 ADORA1 1712/4885ADORA2B 4072/4885ADORA2A 2873/4885

“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.