SCHEMBL912910

SCHEMBL912910

CNC(=O)CNc1nc(Nc2cccc(NC(C)=O)c2)ncc1C(N)=O

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.55
SYK P43405 12/20 0.55
ITK Q08881 1/20 0.52
MAP3K5 Q99683 1/20 0.52
MAPK8 P45983 2/20 0.51
ZAP70 P43403 1/20 0.50
KCNH2 Q12809 1/20 0.50
AURKB Q96GD4 1/20 0.50
MAPK9 P45984 1/20 0.48
MET P08581 1/20 0.48
ALK Q9UM73 1/20 0.48
JAK2 O60674 1/20 0.48
TYK2 P29597 1/20 0.48
JAK3 P52333 1/20 0.48

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
SCHEMBL913963 0.91 EGFR (0.58) EGFRSYKITKMAP3K5MAPK8
SCHEMBL912928 0.88 EGFR (0.59) EGFRSYKITKMAP3K5MAPK8
SCHEMBL914840 0.86 EGFR (0.62) EGFRSYKITKMAP3K5MAPK8
SCHEMBL913608 0.85 JAK3 (0.59) EGFRSYKITKMAP3K5MAPK8
SCHEMBL913505 0.85 SYK (0.58) EGFRSYKITKMAP3K5MAPK8
SCHEMBL913691 0.85 JAK2 (0.59) EGFRSYKITKMAP3K5MAPK8
SCHEMBL913047 0.85 SYK (0.58) EGFRSYKITKMAP3K5MAPK8
SCHEMBL914698 0.84 SYK (0.60) EGFRSYKITKMAP3K5MAPK8
SCHEMBL914696 0.84 SYK (0.60) EGFRSYKITKMAP3K5MAPK8
SCHEMBL913623 0.84 STAT6 (0.64) EGFRSYKMAP3K5JAK2JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853230-B2 Inhibitors of JAK PORTOLA PHARMACEUTICALS, INC. (US) 2014-10-07 US claimed
US-20130137673-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2013-05-30 US claimed
US-8367689-B2 Inhibitors of JAK PORTOLA PHARMACEUTICALS, INC. (US) 2013-02-05 US claimed
US-20110005947-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2011-01-13 US claimed
WO-2010129802-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2010-11-11 WO 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
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 EGFR 772/4885SYK 72/4885ITK 433/4885
US-20110005947-A1 INHIBITORS OF JAK JAK1, JAK2, JAK3 EGFR 772/4885SYK 72/4885ITK 433/4885

“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.