SCHEMBL2695755

SCHEMBL2695755

CC1(C(=O)Nc2ccc(Nc3cc(NCc4cccc(F)n4)c(C(N)=O)cn3)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 14/20 0.50
▸ JAK1 P23458 9/20 0.50
▸ TYK2 P29597 9/20 0.50
▸ IRAK4 Q9NWZ3 7/20 0.50
▸ JAK2 O60674 7/20 0.50
▸ CSF1R P07333 1/20 0.46
▸ BTK Q06187 1/20 0.46
▸ STAT3 P40763 1/20 0.40
▸ MAP4K4 O95819 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ PDE4D Q08499 1/20 0.37
▸ MAPK8 P45983 1/20 0.36

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
SCHEMBL2694017 0.88 JAK3 (0.54) JAK3JAK1TYK2IRAK4JAK2
SCHEMBL2692778 0.84 JAK3 (0.53) JAK3JAK1TYK2IRAK4JAK2
SCHEMBL2695296 0.82 JAK3 (0.56) JAK3JAK1TYK2IRAK4JAK2
SCHEMBL2693136 0.81 JAK3 (0.53) JAK3JAK1TYK2IRAK4JAK2
SCHEMBL2696555 0.81 JAK3 (0.51) JAK3JAK1TYK2IRAK4JAK2
SCHEMBL2696689 0.80 JAK3 (0.49) JAK3JAK1TYK2IRAK4JAK2
SCHEMBL2695394 0.80 JAK3 (0.50) JAK3JAK1TYK2IRAK4JAK2
SCHEMBL2695766 0.80 SYK (0.50) JAK3JAK1TYK2IRAK4JAK2
SCHEMBL2697918 0.80 JAK3 (0.47) JAK3JAK1TYK2IRAK4JAK2
SCHEMBL2695093 0.80 JAK3 (0.47) JAK3JAK1TYK2IRAK4JAK2

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 2/4885TYK2 7/4885
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK JAK3 4/4885JAK1 2/4885TYK2 7/4885

“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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