SCHEMBL5452884

SCHEMBL5452884

CC(=O)Nc1nccc(-c2c[nH]nc2-c2ccc(Cl)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.47
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
JAK2 O60674 3/20 0.44
JAK3 P52333 1/20 0.44
CDC7 O00311 1/20 0.42
MAPK8 P45983 2/20 0.42
IDH1 O75874 1/20 0.42
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 1/20 0.41
PRNP P04156 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
CDK4 P11802 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
MAPK9 P45984 1/20 0.41
MAPK10 P53779 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
SCHEMBL5464101 0.89 MAPK14 (0.47) MAPK14NPC1RAB9ARXFP1JAK2
SCHEMBL14519678 0.88 MAPK8 (0.44) MAPK8KDM4EMAPK9MAPK10CLK1
SCHEMBL3257758 0.80 CAMK2D (0.58) JAK2JAK3MAPK8CDK4CDK2
SCHEMBL5256181 0.78 MAPK14 (0.41) MAPK14MEN1KMT2ACDK4CDK2
SCHEMBL3247464 0.78 MAPT (0.39) MAPK8KDM4EMEN1POLBGAA
SCHEMBL5447710 0.77 ADORA3 (0.44) MAPK14MEN1KMT2AADORA3ADORA1
SCHEMBL3272632 0.77 IKBKB (0.56) MAPK8CDK4CCNE1CDK2MAPK9
SCHEMBL3255217 0.75 PIK3CA (0.58) JAK2MAPK8GAACDK4CDK2
SCHEMBL3252211 0.75 CDK2 (0.73) JAK2CDK4CDK2IKBKBPIK3CA
SCHEMBL3255252 0.75 CDK2 (0.53) MAPK14JAK2JAK3POLBCDK2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 US disclosed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 US disclosed
US-7153959-B2 treatment of tumor necrosis factor mediated disorders; asthma; inflammatory bowel disease; arthritis PHARMACIA CORPORATION (US) 2006-12-26 US disclosed
US-7071198-B1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION (US) 2006-07-04 US disclosed
EP-1500657-A1 Substituted pyrazoles as P38 kinase inhibitors G.D. Searle LLC (US) 2005-01-26 EP disclosed
EP-1144403-B1 SUBSTITUTED PYRAZOLES AS P38 KINASE INHIBITORS SEARLE LLC (US) 2004-10-06 EP disclosed
US-20040176433-A1 treatment of tumor necrosis factor mediated disorders; asthma; inflammatory bowel disease; arthritis PHARMACIA CORPORATION 2004-09-09 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-20040176433-A1 treatment of tumor necrosis factor mediated disorders; asthma; inflammatory bowel disease; arthritis MAPK1, IL1R1, TNF MAPK14 12/4885NPC1 4594/4885RAB9A 1289/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 MAPK14 7/4885NPC1 4880/4885RAB9A 2090/4885

“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.