SCHEMBL2980388

SCHEMBL2980388

N#Cc1cncc(-c2ccccc2Br)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
CXCR1 P25024 1/20 0.35
CXCR2 P25025 1/20 0.35
CYP11B1 P15538 3/20 0.35
CYP11B2 P19099 3/20 0.35
PTGES O14684 1/20 0.35
ALDH1A1 P00352 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 2/20 0.33
IDO1 P14902 1/20 0.33
HSD11B1 P28845 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
GCGR P47871 1/20 0.33
MAPK14 Q16539 1/20 0.33

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
SCHEMBL2974890 0.75 CYP11B2 (0.44) CYP11B1CYP11B2PTGESALDH1A1NPSR1
SCHEMBL2931936 0.75 CSNK1A1 (0.34) CYP11B1CYP11B2ALDH1A1NPSR1TDP1
SCHEMBL4187541 0.75 VCAM1 (0.43) ALDH1A1TDP1GAAMAPK1HSD11B1
SCHEMBL2985101 0.74 PRKCQ (0.46) NPC1RAB9ACYP11B1CYP11B2ALDH1A1
SCHEMBL29543686 0.73 ESR2 (0.48) NPC1RAB9APTGESALDH1A1TP53
SCHEMBL17712501 0.73 ESR2 (0.48) NPC1RAB9APTGESALDH1A1TP53
SCHEMBL23291787 0.72 CSNK1A1 (0.40) CYP11B1CYP11B2ALDH1A1NPSR1TDP1
SCHEMBL2981642 0.69 PRKCQ (0.53) PRKCQ
SCHEMBL22442149 0.68 CYP11B2 (0.43) CYP11B1CYP11B2ALDH1A1NPSR1TDP1
SCHEMBL31207529 0.68 CYP11B2 (0.43) CYP11B1CYP11B2ALDH1A1NPSR1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029543-B1 SUBSTITUTED 3-CYANOPYRIDINES AS PROTEIN KINASE INHIBITORS WYETH LLC (US) 2015-11-18 EP disclosed
US-7781591-B2 Substituted 3-cyanopyridines as protein kinase inhibitors WYETH LLC (US) 2010-08-24 US disclosed
EP-2029543-A2 SUBSTITUTED 3-CYANOPYRIDINES AS PROTEIN KINASE INHIBITORS Wyeth (US) 2009-03-04 EP disclosed
WO-2007146376-A2 SUBSTITUTED 3-CYANOPYRIDINES AS PROTEIN KINASE INHIBITORS WYETH (US) 2007-12-21 WO disclosed
US-20070287708-A1 Substituted 3-cyanopyridines as protein kinase inhibitors WYETH LLC 2007-12-13 US 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-20070287708-A1 Substituted 3-cyanopyridines as protein kinase inhibitors CNKSR1, MAP3K1, MAP3K7 NPC1 1800/4885RAB9A 2777/4885CXCR1 513/4885

“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.