SCHEMBL5028093

SCHEMBL5028093

NC(=O)c1cc(F)c(N[C@@H]2CCCC[C@@H]2N)nc1Nc1cccc(Cl)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.73
ROCK2 O75116 1/20 0.73
MAP4K4 O95819 1/20 0.73
HCK P08631 1/20 0.73
ROS1 P08922 1/20 0.73
PIM1 P11309 1/20 0.73
PRKACA P17612 1/20 0.73
MARK3 P27448 1/20 0.73
LTK P29376 1/20 0.73
FLT3 P36888 1/20 0.73
CSNK1A1 P48729 1/20 0.73
CLK2 P49760 1/20 0.73
MAPK10 P53779 1/20 0.73
MAP2K1 Q02750 1/20 0.73
MAP3K10 Q02779 1/20 0.73
PRKCQ Q04759 1/20 0.73
PTK2 Q05397 1/20 0.73
TYRO3 Q06418 1/20 0.73
STK3 Q13188 1/20 0.73
ROCK1 Q13464 1/20 0.73

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
SCHEMBL14929773 1.00 JAK2 (0.73) JAK2ROCK2MAP4K4HCKROS1
SCHEMBL14910111 1.00 JAK2 (0.73) JAK2ROCK2MAP4K4HCKROS1
SCHEMBL19901261 0.91 CLK2 (0.64) JAK2ROCK2MAP4K4HCKROS1
SCHEMBL5027524 0.90 SYK (0.66) JAK2ROCK2MAP4K4HCKROS1
SCHEMBL14910357 0.90 FER (0.59) JAK2ROCK2MAP4K4HCKROS1
SCHEMBL14910359 0.90 FER (0.59) JAK2ROCK2MAP4K4HCKROS1
SCHEMBL14929778 0.90 FER (0.59) JAK2ROCK2MAP4K4HCKROS1
SCHEMBL16164452 0.90 JAK2 (0.58) JAK2ROCK2MAP4K4HCKROS1
SCHEMBL5028176 0.89 FER (0.60) JAK2ROCK2MAP4K4HCKROS1
SCHEMBL20750794 0.89 FER (0.65) JAK2ROCK2MAP4K4HCKROS1

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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2589592-B1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM CORP (JP) 2018-08-22 EP claimed
US-9051310-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2015-06-09 US claimed
US-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 US claimed
US-8809371-B2 2014-08-19 US claimed
US-8772320-B2 2014-07-08 US claimed
EP-3176154-B1 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS PORTOLA PHARM INC (US) 2019-02-20 EP disclosed
EP-2589592-B1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM CORP (JP) 2018-08-22 EP disclosed
US-9902688-B2 Benzamides and nicotinamides as Syk modulators PORTOLA PHARMACEUTICALS, INC. (US) 2018-02-27 US disclosed
US-9902688-B2 Benzamides and nicotinamides as Syk modulators PORTOLA PHARMACEUTICALS, INC. (US) 2018-02-27 US disclosed
US-9902688-B2 Benzamides and nicotinamides as Syk modulators PORTOLA PHARMACEUTICALS, INC. (US) 2018-02-27 US disclosed
EP-2799431-B1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORP (JP) 2018-01-24 EP disclosed
EP-3176154-A1 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS Portola Pharmaceuticals, Inc. (US) 2017-06-07 EP disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 US disclosed
EP-2589592-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM Corporation (JP) 2013-05-08 EP disclosed
EP-2589592-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM Corporation (JP) 2013-05-08 EP disclosed
US-20120142671-A1 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-06-07 US disclosed
US-20120142671-A1 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-06-07 US disclosed
US-20120142671-A1 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-06-07 US disclosed
WO-2012061418-A2 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-10 WO 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-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF SYK, CD38, BTK JAK2 28/4885ROCK2 1485/4885MAP4K4 1143/4885
US-20120142671-A1 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS SYK, BTK, NADK JAK2 29/4885ROCK2 1020/4885MAP4K4 748/4885

“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.