SCHEMBL914262

SCHEMBL914262

CN(c1ccccn1)c1nc(Nc2ccc3c(c2)NC(=O)C(C)(C)O3)ncc1C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 2/20 0.48
▸ JAK3 P52333 2/20 0.48
▸ SYK P43405 12/20 0.46
▸ MAP4K3 Q8IVH8 1/20 0.40
▸ MAP4K1 Q92918 1/20 0.40
▸ IRAK4 Q9NWZ3 1/20 0.40
▸ MAPK8 P45983 2/20 0.39
▸ MAPK9 P45984 1/20 0.39
▸ EGFR P00533 2/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ LCK P06239 1/20 0.38
▸ LYN P07948 1/20 0.38
▸ FGFR4 P22455 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NPC1 O15118 1/20 0.35

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
SCHEMBL914801 0.83 SYK (0.49) JAK1JAK3SYKJAK2
SCHEMBL914264 0.80 JAK3 (0.56) JAK1JAK3SYKMAP4K3MAP4K1
SCHEMBL14974313 0.77 STAT6 (0.57) JAK1JAK3SYKMAP4K3MAP4K1
SCHEMBL913836 0.76 JAK1 (0.52) JAK1JAK3SYKMAP4K3MAP4K1
SCHEMBL913999 0.76 MAP3K5 (0.53) JAK3SYKMAPK8MAPK9EGFR
SCHEMBL914805 0.71 JAK3 (0.57) JAK1JAK3SYKJAK2
SCHEMBL658794 0.67 SYK (0.71) JAK1JAK3SYKMAPK8EGFR
SCHEMBL9923299 0.67 JAK2 (0.48) JAK1JAK3JAK2
SCHEMBL15808613 0.67 SYK (0.56) JAK1JAK3SYK
SCHEMBL2103529 0.66 SYK (0.68) JAK1JAK3SYKMAP4K3MAP4K1

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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