SCHEMBL2693724

SCHEMBL2693724

CCC(=O)N1CC(c2ccc(Nc3cc(N(C)c4cccc5[nH]ccc45)c(C(N)=O)cn3)cc2)C1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 10/20 0.46
▸ JAK1 P23458 2/20 0.37
▸ BTK Q06187 5/20 0.37
▸ LCK P06239 2/20 0.37
▸ EGFR P00533 2/20 0.37
▸ SYK P43405 5/20 0.35
▸ HPGDS O60760 1/20 0.34
▸ CHEK1 O14757 1/20 0.34
▸ IRAK4 Q9NWZ3 2/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ TYK2 P29597 1/20 0.33
▸ MAP4K4 O95819 1/20 0.33

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
SCHEMBL2695189 0.93 JAK3 (0.55) JAK3JAK1BTKLCKEGFR
SCHEMBL2695356 0.92 JAK3 (0.40) JAK3JAK1SYKCHEK1IRAK4
SCHEMBL2693721 0.84 JAK3 (0.55) JAK3JAK1BTKSYKIRAK4
SCHEMBL2695788 0.83 JAK3 (0.41) JAK3JAK1LCKEGFRSYK
SCHEMBL2696074 0.83 JAK3 (0.41) JAK3JAK1SYKJAK2TYK2
SCHEMBL2695726 0.82 JAK3 (0.55) JAK3BTKLCKEGFRSYK
SCHEMBL2695483 0.82 SYK (0.48) JAK3SYKCHEK1
SCHEMBL2693148 0.82 SYK (0.45) JAK3JAK1SYKHPGDSIRAK4
SCHEMBL2695525 0.81 CSF1R (0.41) JAK3JAK1LCKSYKIRAK4
SCHEMBL2695244 0.81 JAK3 (0.45) JAK3JAK1BTKLCKEGFR

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 JAK3 4/4885JAK1 2/4885BTK 8/4885
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK JAK3 4/4885JAK1 2/4885BTK 8/4885

“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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