SCHEMBL914001

SCHEMBL914001

CC(=O)Nc1cccc(Nc2ncc(C(N)=O)c(NCc3ccccn3)n2)c1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 7/20 0.65
▸ EGFR P00533 3/20 0.55
▸ MAP3K5 Q99683 1/20 0.52
▸ STAT6 P42226 3/20 0.50
▸ ITK Q08881 1/20 0.50
▸ MAPK8 P45983 2/20 0.48
▸ KIT P10721 1/20 0.48
▸ FLT3 P36888 1/20 0.48
▸ MAPK9 P45984 1/20 0.48
▸ PTK2 Q05397 1/20 0.48
▸ JAK2 O60674 3/20 0.48
▸ JAK1 P23458 2/20 0.48
▸ TYK2 P29597 1/20 0.48
▸ SYK P43405 2/20 0.48
▸ ZAP70 P43403 1/20 0.48
▸ KCNH2 Q12809 1/20 0.48
▸ AURKB Q96GD4 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
SCHEMBL913623 0.87 STAT6 (0.64) JAK3EGFRMAP3K5STAT6JAK2
SCHEMBL912933 0.86 JAK3 (0.62) JAK3EGFRMAP3K5STAT6ITK
SCHEMBL912928 0.85 EGFR (0.59) JAK3EGFRMAP3K5ITKMAPK8
SCHEMBL914305 0.85 JAK3 (0.65) JAK3EGFRSTAT6PTK2JAK2
SCHEMBL913963 0.84 EGFR (0.58) JAK3EGFRMAP3K5ITKMAPK8
SCHEMBL913923 0.84 JAK3 (0.65) JAK3EGFRSTAT6JAK2JAK1
SCHEMBL914163 0.84 JAK3 (0.62) JAK3EGFRSTAT6ITKJAK2
SCHEMBL912874 0.83 JAK3 (0.63) JAK3EGFRSTAT6JAK2JAK1
SCHEMBL915035 0.83 JAK3 (0.63) JAK3EGFRSTAT6ITKJAK2
SCHEMBL913691 0.82 JAK2 (0.59) JAK3EGFRMAP3K5ITKMAPK8

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 13 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 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 JAK3 3/4885EGFR 772/4885MAP3K5 21/4885
US-20110005947-A1 INHIBITORS OF JAK JAK1, JAK2, JAK3 JAK3 3/4885EGFR 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.

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