SCHEMBL2696951

SCHEMBL2696951

CN(c1cc(Nc2ccc(C3CCOCC3)cc2)ncc1C(N)=O)C1(O)CCCC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 11/20 0.48
▸ JAK3 P52333 6/20 0.40
▸ LCK P06239 2/20 0.38
▸ EGFR P00533 1/20 0.38
▸ BTK Q06187 1/20 0.38
▸ CNR2 P34972 2/20 0.37
▸ JAK2 O60674 2/20 0.37
▸ JAK1 P23458 2/20 0.37
▸ KCNH2 Q12809 2/20 0.37
▸ TYK2 P29597 1/20 0.37
▸ LYN P07948 1/20 0.36
▸ MAPK3 P27361 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ ZAP70 P43403 1/20 0.36
▸ TYRO3 Q06418 1/20 0.36
▸ AURKB Q96GD4 1/20 0.36
▸ STAT6 P42226 1/20 0.36
▸ MAPK9 P45984 1/20 0.35
▸ MAPK10 P53779 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
SCHEMBL2696749 0.85 SYK (0.49) SYKJAK3LCKEGFRBTK
SCHEMBL2693964 0.84 JAK3 (0.56) SYKJAK3LCKEGFRBTK
SCHEMBL2696786 0.79 SYK (0.44) SYKJAK3CNR2JAK2JAK1
SCHEMBL2696306 0.79 SYK (0.44) SYKJAK3LCKEGFRBTK
SCHEMBL4403243 0.79 SYK (0.52) SYKJAK3CNR2JAK2JAK1
SCHEMBL2696949 0.79 JAK3 (0.48) SYKJAK3BTKCNR2JAK2
SCHEMBL2695609 0.79 SYK (0.44) SYKJAK3LCKEGFRBTK
SCHEMBL2712371 0.78 SYK (0.47) SYKJAK3LCKEGFRBTK
SCHEMBL2693778 0.77 SYK (0.54) SYKJAK3CNR2JAK2JAK1
SCHEMBL2693780 0.77 SYK (0.54) SYKJAK3CNR2JAK2JAK1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150353495-A1 NICOTINAMIDES AS JAK KINASE MODULATORS ALEXION PHARMACEUTICALS, INC. 2015-12-10 — — US claimed
EP-2635557-A2 NICOTINAMIDES AS JAK KINASE MODULATORS Portola Pharmaceuticals, Inc. (US) 2013-09-11 — — EP claimed
WO-2012061428-A2 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-10 — — WO claimed
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-03 — — US claimed
EP-2975027-A1 NICOTINAMIDES AS JAK KINASE MODULATORS Portola Pharmaceuticals, Inc. (US) 2016-01-20 — — EP disclosed
US-20150353495-A1 NICOTINAMIDES AS JAK KINASE MODULATORS ALEXION PHARMACEUTICALS, INC. 2015-12-10 — — US disclosed
US-9102625-B2 Nicotinamides as JAK kinase modulators PORTOLA PHARMACEUTICALS, INC. (US) 2015-08-11 — — US disclosed
EP-2635557-A2 NICOTINAMIDES AS JAK KINASE MODULATORS Portola Pharmaceuticals, Inc. (US) 2013-09-11 — — EP disclosed
WO-2012061428-A2 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-10 — — WO disclosed
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-03 — — 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-20150353495-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK SYK 17/4885JAK3 4/4885LCK 338/4885
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK SYK 17/4885JAK3 4/4885LCK 338/4885

“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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