SCHEMBL2695904

SCHEMBL2695904

COc1ccc(Nc2cc(NCC3CCCNC3)c(C(N)=O)cn2)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 4/20 0.59
SYK P43405 2/20 0.51
JAK3 P52333 7/20 0.46
IRAK4 Q9NWZ3 3/20 0.46
JAK2 O60674 2/20 0.46
JAK1 P23458 2/20 0.46
TYK2 P29597 1/20 0.46
CHEK2 O96017 1/20 0.45
RPS6KB1 P23443 3/20 0.44
PDPK1 O15530 1/20 0.43
PIK3CA P42336 1/20 0.42
MTOR P42345 1/20 0.42
PRKDC P78527 1/20 0.42
CSF1R P07333 1/20 0.41
BRD4 O60885 1/20 0.41
ATAD2 Q6PL18 1/20 0.41

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
SCHEMBL2695901 1.00 CHEK1 (0.59) CHEK1SYKJAK3IRAK4JAK2
SCHEMBL2696458 0.90 JAK3 (0.52) CHEK1SYKJAK3IRAK4JAK2
SCHEMBL2693853 0.82 SYK (0.48) CHEK1SYKJAK3IRAK4JAK2
SCHEMBL2697003 0.82 SYK (0.48) CHEK1SYKJAK3IRAK4JAK2
SCHEMBL2693855 0.82 SYK (0.48) CHEK1SYKJAK3IRAK4JAK2
SCHEMBL2695883 0.82 SYK (0.53) SYKJAK3IRAK4JAK2JAK1
SCHEMBL2695876 0.82 SYK (0.53) SYKJAK3IRAK4JAK2JAK1
SCHEMBL2696097 0.82 SYK (0.53) SYKJAK3IRAK4JAK2JAK1
SCHEMBL2693836 0.81 SYK (0.53) CHEK1SYKJAK3IRAK4JAK2
SCHEMBL2693898 0.81 SYK (0.47) CHEK1SYKJAK3IRAK4JAK2

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 CHEK1 1150/4885SYK 17/4885JAK3 4/4885
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK CHEK1 1150/4885SYK 17/4885JAK3 4/4885

“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.