SCHEMBL4404061

SCHEMBL4404061

CC(=O)Nc1cccc(Nc2nc(NCc3ccccc3)c(C#N)cc2F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.53
CSNK2A1 P68400 4/20 0.49
KDM4E B2RXH2 7/20 0.48
ALDH1A1 P00352 5/20 0.48
HPGD P15428 1/20 0.48
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
MAPT P10636 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ABCG2 Q9UNQ0 3/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPK1 P28482 3/20 0.47
GAA P10253 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
BRAF P15056 1/20 0.46
NPSR1 Q6W5P4 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
EGFR P00533 1/20 0.44

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
SCHEMBL5028135 0.86 HTT (0.56) HTTCSNK2A1KDM4EALDH1A1HPGD
SCHEMBL4409425 0.84 CSNK2A1 (0.46) HTTCSNK2A1KDM4EALDH1A1MAPT
SCHEMBL2696705 0.84 AURKA (0.52) HTTKDM4EALDH1A1MAPTMEN1
SCHEMBL4403160 0.81 MEN1 (0.47) HTTCSNK2A1KDM4EALDH1A1MAPT
SCHEMBL4406650 0.79 FER (0.59) HTTCSNK2A1KDM4EALDH1A1MAPT
SCHEMBL5027326 0.78 CSNK2A1 (0.56) HTTCSNK2A1KDM4EALDH1A1HPGD
SCHEMBL7859680 0.76 KDM4E (0.53) HTTKDM4EALDH1A1HPGDCRHBP
SCHEMBL2713153 0.74 BRAF (0.48) HTTCSNK2A1KDM4EALDH1A1HPGD
SCHEMBL1240649 0.74 BRAF (0.58) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL20216174 0.72 SYK (0.65) CSNK2A1ABCG2EGFRJAK3BTK

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 HTT 1328/4885CSNK2A1 943/4885KDM4E 1791/4885
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK HTT 1328/4885CSNK2A1 943/4885KDM4E 1791/4885

“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.