SCHEMBL4403160

SCHEMBL4403160

CC(=O)Nc1cccc(Nc2nc(Cl)c(C#N)cc2F)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
MAPT P10636 3/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 1/20 0.47
ABCG2 Q9UNQ0 3/20 0.47
CSNK2A1 P68400 9/20 0.46
EGFR P00533 2/20 0.45
ERBB2 P04626 1/20 0.45
CSNK2A2 P19784 1/20 0.44
CSNK2B P67870 1/20 0.44
MAPK1 P28482 1/20 0.44
USP2 O75604 1/20 0.42
MAP3K5 Q99683 1/20 0.41
AURKA O14965 1/20 0.41
AURKB Q96GD4 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL4404061 0.81 HTT (0.53) MEN1MAPTKMT2AALDH1A1KDM4E
SCHEMBL4406650 0.80 FER (0.59) MEN1MAPTKMT2AALDH1A1KDM4E
SCHEMBL4409425 0.79 CSNK2A1 (0.46) MEN1MAPTKMT2AALDH1A1KDM4E
SCHEMBL1036047 0.76 EGFR (0.53) MEN1MAPTKMT2AALDH1A1KDM4E
SCHEMBL655281 0.72 EGFR (0.69) EGFRMAP3K5AURKA
SCHEMBL2696811 0.72 MAPT (0.49) MEN1MAPTKMT2AALDH1A1KDM4E
SCHEMBL20216174 0.72 SYK (0.65) ABCG2CSNK2A1EGFRERBB2MAP3K5
SCHEMBL23369555 0.71 SMN1; SMN2 (0.44) MEN1MAPTKMT2AKDM4ESMN1; SMN2
SCHEMBL18926214 0.70 KHK (0.61) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL7857463 0.69 KHK (0.53) ALDH1A1KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2975027-A1 NICOTINAMIDES AS JAK KINASE MODULATORS Portola Pharmaceuticals, Inc. (US) 2016-01-20 EP disclosed
US-20150353495-A1 NICOTINAMIDES AS JAK KINASE MODULATORS ALEXION PHARMACEUTICALS, INC. 2015-12-10 US disclosed
US-20150353495-A1 NICOTINAMIDES AS JAK KINASE MODULATORS ALEXION PHARMACEUTICALS, INC. 2015-12-10 US disclosed
US-9102625-B2 Nicotinamides as JAK kinase modulators PORTOLA PHARMACEUTICALS, INC. (US) 2015-08-11 US disclosed
US-9102625-B2 Nicotinamides as JAK kinase modulators PORTOLA PHARMACEUTICALS, INC. (US) 2015-08-11 US disclosed
WO-2012061428-A2 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-10 WO disclosed
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-03 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 (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-20150353495-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK MEN1 2476/4885MAPT 4633/4885KMT2A 1713/4885
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK MEN1 2476/4885MAPT 4633/4885KMT2A 1713/4885

“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.