SCHEMBL14315656

SCHEMBL14315656

N#Cc1c(F)c(F)c(Nc2c(Cl)cccc2Cl)c(C#N)c1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.36
KDM4E B2RXH2 5/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ALDH1A1 P00352 2/20 0.35
ADRA2A P08913 2/20 0.33
ADRA2C P18825 2/20 0.33
ADRA1D P25100 2/20 0.33
ADRA1A P35348 2/20 0.33
ADRA1B P35368 2/20 0.33
MAPT P10636 2/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
MAPK1 P28482 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
SLC22A12 Q96S37 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
TAS1R2 Q8TE23 1/20 0.32
HSD17B10 Q99714 2/20 0.32

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
SCHEMBL14325885 0.95 SRC (0.37) SRCKDM4EL3MBTL1ALDH1A1ADRA2A
SCHEMBL7870086 0.88 SRC (0.37) SRCKDM4EL3MBTL1ALDH1A1ADRA2A
SCHEMBL14318539 0.77 MAPT (0.43) SRCALDH1A1MAPTMAOAMAOB
SCHEMBL14306425 0.76 RAPGEF4 (0.44) SRCL3MBTL1MAPTMEN1KMT2A
SCHEMBL14318538 0.76 ADORA1 (0.43) KDM4EL3MBTL1ALDH1A1MAPTMAOA
SCHEMBL14315663 0.75 MAP2K1 (0.48) SRCMAPK1TAS1R3TAS1R1TAS1R2
SCHEMBL14318544 0.75 ADRA2A (0.41) ALDH1A1ADRA2AADRA2CMAPTMAPK1
SCHEMBL14318557 0.74 SRC (0.39) SRCKDM4EL3MBTL1ALDH1A1ADRA2A
SCHEMBL14325892 0.74 MAPT (0.41) SRCKDM4EL3MBTL1ALDH1A1ADRA2A
SCHEMBL14315679 0.73 SRC (0.43) SRCL3MBTL1ALDH1A1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 SRC 1992/4885KDM4E 2574/4885L3MBTL1 459/4885

“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.