SCHEMBL914840

SCHEMBL914840

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

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.62
MAP3K5 Q99683 1/20 0.59
ITK Q08881 2/20 0.58
SYK P43405 11/20 0.56
MAPK8 P45983 2/20 0.54
MAPK9 P45984 1/20 0.54
BTK Q06187 1/20 0.51
ZAP70 P43403 1/20 0.51
KCNH2 Q12809 1/20 0.51
AURKB Q96GD4 1/20 0.51
ABL1 P00519 1/20 0.50

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
SCHEMBL915061 0.88 EGFR (0.67) EGFRMAP3K5ITKSYKMAPK8
SCHEMBL10243749 0.88 SYK (0.67) EGFRITKSYKZAP70KCNH2
SCHEMBL912928 0.88 EGFR (0.59) EGFRMAP3K5ITKSYKMAPK8
SCHEMBL913710 0.88 EGFR (0.59) EGFRMAP3K5ITKSYKMAPK8
SCHEMBL913523 0.88 EGFR (0.59) EGFRMAP3K5ITKSYKMAPK8
SCHEMBL913963 0.87 EGFR (0.58) EGFRMAP3K5ITKSYKMAPK8
SCHEMBL912910 0.86 EGFR (0.55) EGFRMAP3K5ITKSYKMAPK8
SCHEMBL913685 0.86 EGFR (0.57) EGFRMAP3K5ITKSYKMAPK8
SCHEMBL912943 0.86 SYK (0.65) EGFRMAP3K5ITKSYK
SCHEMBL913756 0.86 EGFR (0.57) EGFRMAP3K5ITKSYKMAPK8

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 772/4885MAP3K5 21/4885ITK 433/4885
US-20110005947-A1 INHIBITORS OF JAK JAK1, JAK2, JAK3 EGFR 772/4885MAP3K5 21/4885ITK 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.