SCHEMBL3336899

SCHEMBL3336899

N#Cc1c(N)nc(S)c(C#N)c1-c1ccc(F)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 9/20 0.48
KDM4E B2RXH2 5/20 0.44
MAPT P10636 2/20 0.44
HSD17B10 Q99714 2/20 0.44
HTT P42858 2/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 3/20 0.42
HPGD P15428 2/20 0.42
RXFP1 Q9HBX9 2/20 0.42
ALDH1A1 P00352 1/20 0.42
PPARG P37231 1/20 0.42
STAT3 P40763 1/20 0.42
NR2E3 Q9Y5X4 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
ADORA2A P29274 6/20 0.41
IDO1 P14902 1/20 0.40

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
SCHEMBL3339298 0.84 KDM4E (0.51) ADORA1KDM4EMAPTHSD17B10HTT
SCHEMBL3357889 0.84 KDM4E (0.57) ADORA1KDM4EMAPTHSD17B10HTT
SCHEMBL13914164 0.82 KDM4E (0.62) ADORA1KDM4EMAPTHSD17B10HTT
SCHEMBL245202 0.82 ADORA1 (0.60) ADORA1KDM4EHSD17B10HTTNPSR1
SCHEMBL1930575 0.81 ADORA1 (0.44) ADORA1KDM4EHSD17B10MEN1LMNA
SCHEMBL13914157 0.80 ADORA1 (0.57) ADORA1KDM4EMAPTHSD17B10HTT
SCHEMBL13914288 0.80 IL4 (0.52) ADORA1KDM4EMAPTHSD17B10HTT
SCHEMBL6466480 0.80 ADORA1 (0.63) ADORA1KDM4EMAPTHSD17B10HTT
SCHEMBL13914325 0.79 KDM4E (0.48) ADORA1KDM4EMAPTHSD17B10HTT
SCHEMBL13914326 0.78 PIM1 (0.45) ADORA1KDM4EMAPTHSD17B10HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160130230-A1 SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-05-12 US disclosed
US-20160130230-A1 SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-05-12 US disclosed
US-9187428-B2 Substituted dicyanopyridines and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-17 US disclosed
US-9187428-B2 Substituted dicyanopyridines and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-17 US disclosed
US-20130210795-A1 SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-15 US disclosed
US-20130210795-A1 SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-15 US disclosed
WO-2012000945-A1 SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-05 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 (2 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-20130210795-A1 SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF QDPR, DPYD, DDC ADORA1 3010/4885KDM4E 1801/4885MAPT 3714/4885
US-20160130230-A1 SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF QDPR, DPYD, DDC ADORA1 3010/4885KDM4E 1801/4885MAPT 3714/4885

“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.