SCHEMBL913836

SCHEMBL913836

CC1(C)Oc2ccc(Nc3ncc(C(N)=O)c(NC4(c5ccccc5)CC4)n3)cc2NC1=O

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 2/20 0.52
▸ JAK3 P52333 2/20 0.52
▸ SYK P43405 14/20 0.49
▸ MAPK8 P45983 2/20 0.47
▸ MAPK9 P45984 1/20 0.47
▸ MAP4K3 Q8IVH8 1/20 0.46
▸ MAP4K1 Q92918 1/20 0.46
▸ IRAK4 Q9NWZ3 1/20 0.46
▸ EGFR P00533 2/20 0.42
▸ JAK2 O60674 1/20 0.41
▸ LCK P06239 1/20 0.41
▸ LYN P07948 1/20 0.41
▸ FGFR4 P22455 1/20 0.41

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
SCHEMBL14974313 0.84 STAT6 (0.57) JAK1JAK3SYKMAPK8MAPK9
SCHEMBL914264 0.80 JAK3 (0.56) JAK1JAK3SYKMAPK8MAPK9
SCHEMBL914805 0.77 JAK3 (0.57) JAK1JAK3SYKJAK2
SCHEMBL913839 0.77 EGFR (0.57) JAK3SYKMAPK8MAPK9EGFR
SCHEMBL914262 0.76 JAK1 (0.48) JAK1JAK3SYKMAPK8MAPK9
SCHEMBL913288 0.76 MAPK8 (0.48) SYKMAPK8MAPK9EGFR
SCHEMBL914801 0.73 SYK (0.49) JAK1JAK3SYKJAK2
SCHEMBL913156 0.73 CDK9 (0.54) JAK3SYKMAPK8MAPK9EGFR
SCHEMBL658794 0.70 SYK (0.71) JAK1JAK3SYKMAPK8EGFR
SCHEMBL22057551 0.70 SYK (0.52) SYKMAPK8MAPK9

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 6 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-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-20110005947-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2011-01-13 — — US 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 JAK1 1/4885JAK3 3/4885SYK 72/4885
US-20110005947-A1 INHIBITORS OF JAK JAK1, JAK2, JAK3 JAK1 1/4885JAK3 3/4885SYK 72/4885

“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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