SCHEMBL945996

SCHEMBL945996

CC(=O)Nc1cccc(Nc2ncc(C(N)=O)c(Nc3cccc4nsnc34)n2)c1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SYK P43405 11/20 0.59
EGFR P00533 4/20 0.53
MAP3K5 Q99683 1/20 0.53
ITK Q08881 1/20 0.51
MAPK8 P45983 2/20 0.47
MAPK9 P45984 1/20 0.47
ALDH1A1 P00352 1/20 0.47
BTK Q06187 1/20 0.44
ZAP70 P43403 1/20 0.44
KCNH2 Q12809 1/20 0.44
AURKB Q96GD4 1/20 0.44
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
JAK3 P52333 1/20 0.43

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
SCHEMBL942933 0.83 SYK (0.55) SYKEGFRITKMAPK8MAPK9
SCHEMBL943537 0.81 SYK (0.52) SYKMAPK8MAPK9JAK1TYK2
SCHEMBL913526 0.80 SYK (0.62) SYKEGFRMAP3K5ITKJAK1
SCHEMBL914840 0.80 EGFR (0.62) SYKEGFRMAP3K5ITKMAPK8
SCHEMBL10243749 0.80 SYK (0.67) SYKEGFRITKZAP70KCNH2
SCHEMBL915061 0.80 EGFR (0.67) SYKEGFRMAP3K5ITKMAPK8
SCHEMBL12904895 0.79 SYK (0.51) SYKMAPK8MAPK9BTKJAK1
SCHEMBL947132 0.79 SYK (0.52) SYKMAPK8MAPK9JAK1TYK2
SCHEMBL762048 0.79 SYK (0.71) SYK
SCHEMBL913523 0.78 EGFR (0.59) SYKEGFRMAP3K5ITKMAPK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130137673-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2013-05-30 US claimed
US-20110005947-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2011-01-13 US claimed
US-8853230-B2 Inhibitors of JAK PORTOLA PHARMACEUTICALS, INC. (US) 2014-10-07 US disclosed
US-8853230-B2 Inhibitors of JAK PORTOLA PHARMACEUTICALS, INC. (US) 2014-10-07 US disclosed
US-8853230-B2 Inhibitors of JAK PORTOLA PHARMACEUTICALS, INC. (US) 2014-10-07 US disclosed
US-20130137673-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2013-05-30 US disclosed
US-20130137673-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2013-05-30 US disclosed
US-20130137673-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2013-05-30 US disclosed
US-8367689-B2 Inhibitors of JAK PORTOLA PHARMACEUTICALS, INC. (US) 2013-02-05 US disclosed
US-8367689-B2 Inhibitors of JAK PORTOLA PHARMACEUTICALS, INC. (US) 2013-02-05 US disclosed
US-8367689-B2 Inhibitors of JAK PORTOLA PHARMACEUTICALS, INC. (US) 2013-02-05 US disclosed
US-20110005947-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2011-01-13 US disclosed
US-20110005947-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2011-01-13 US disclosed
US-20110005947-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2011-01-13 US disclosed
WO-2010129802-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2010-11-11 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-20130137673-A1 INHIBITORS OF JAK JAK1, JAK2, JAK3 SYK 72/4885EGFR 772/4885MAP3K5 21/4885
US-20110005947-A1 INHIBITORS OF JAK JAK1, JAK2, JAK3 SYK 72/4885EGFR 772/4885MAP3K5 21/4885

“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.