SCHEMBL2692398

SCHEMBL2692398

CN(c1cn(CCN2CCCCC2)nn1)c1cc(Nc2ccc(C3CCOCC3)cc2)ncc1C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 5/20 0.42
▸ JAK3 P52333 5/20 0.37
▸ KCNH2 Q12809 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ STAT6 P42226 1/20 0.36
▸ CSF1R P07333 1/20 0.36
▸ CNR2 P34972 3/20 0.36
▸ MAPK9 P45984 1/20 0.36
▸ MAPK10 P53779 1/20 0.36
▸ JAK2 O60674 1/20 0.35
▸ IRAK4 Q9NWZ3 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ LCK P06239 1/20 0.35
▸ BTK Q06187 1/20 0.35
▸ EPHX2 P34913 1/20 0.34

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
SCHEMBL2692396 0.83 JAK3 (0.45) SYKJAK3KCNH2HRH3STAT6
SCHEMBL2696306 0.78 SYK (0.44) SYKJAK3KCNH2STAT6CNR2
SCHEMBL2695609 0.76 SYK (0.44) SYKJAK3KCNH2STAT6CNR2
SCHEMBL2696749 0.75 SYK (0.49) SYKJAK3KCNH2STAT6CNR2
SCHEMBL2696951 0.74 SYK (0.48) SYKJAK3KCNH2STAT6CNR2
SCHEMBL2696786 0.73 SYK (0.44) SYKJAK3KCNH2STAT6CNR2
SCHEMBL2696162 0.73 SYK (0.51) SYKJAK3KCNH2MAPK9MAPK10
SCHEMBL2696124 0.73 SYK (0.45) SYKJAK3STAT6CNR2MAPK9
SCHEMBL17452161 0.72 JAK3 (0.44) SYKJAK3KCNH2HRH3STAT6
SCHEMBL2695805 0.72 SYK (0.44) SYKJAK3STAT6CSF1RMAPK9

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 8 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
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 4/4885KCNH2 2615/4885
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK SYK 17/4885JAK3 4/4885KCNH2 2615/4885

“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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