SCHEMBL913839

SCHEMBL913839

CC(=O)Nc1cccc(Nc2ncc(C(N)=O)c(NC3(c4ccccc4)CC3)n2)c1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 6/20 0.57
▸ MAP3K5 Q99683 1/20 0.52
▸ MAPK8 P45983 3/20 0.51
▸ MAPK9 P45984 1/20 0.51
▸ SYK P43405 8/20 0.50
▸ SCN9A Q15858 1/20 0.50
▸ ITK Q08881 1/20 0.50
▸ BTK Q06187 3/20 0.48
▸ JAK3 P52333 1/20 0.45
▸ KCNH2 Q12809 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
SCHEMBL913156 0.88 CDK9 (0.54) EGFRMAPK8MAPK9SYKITK
SCHEMBL913288 0.87 MAPK8 (0.48) EGFRMAPK8MAPK9SYK
SCHEMBL2695389 0.83 JAK3 (0.53) MAP3K5SCN9ABTKJAK3
SCHEMBL914840 0.82 EGFR (0.62) EGFRMAP3K5MAPK8MAPK9SYK
SCHEMBL913623 0.80 STAT6 (0.64) EGFRMAP3K5SYKJAK3
SCHEMBL3791870 0.79 AURKA (0.60) EGFRMAP3K5MAPK8MAPK9SYK
SCHEMBL10243792 0.79 SYK (0.74) SYK
SCHEMBL913710 0.79 EGFR (0.59) EGFRMAP3K5MAPK8MAPK9SYK
SCHEMBL915061 0.79 EGFR (0.67) EGFRMAP3K5MAPK8MAPK9SYK
SCHEMBL913523 0.79 EGFR (0.59) EGFRMAP3K5MAPK8MAPK9SYK

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 EGFR 772/4885MAP3K5 21/4885MAPK8 196/4885
US-20110005947-A1 INHIBITORS OF JAK JAK1, JAK2, JAK3 EGFR 772/4885MAP3K5 21/4885MAPK8 196/4885

“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.

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