SCHEMBL4444272

SCHEMBL4444272

Cc1ccc(C(=O)O)cc1-c1ccc2c(c1)[nH]c1ncncc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.54
GRIA1 P42261 1/20 0.54
GRIA2 P42262 1/20 0.54
GRIA3 P42263 1/20 0.54
GRIA4 P48058 1/20 0.54
TNKS2 Q9H2K2 1/20 0.47
DYRK1A Q13627 1/20 0.46
CSNK2A1 P68400 2/20 0.43
PARP1 P09874 1/20 0.43
MAPK14 Q16539 7/20 0.41
CSNK2A2 P19784 4/20 0.40
CSNK2B P67870 3/20 0.40
AR P10275 1/20 0.39
CSF1R P07333 2/20 0.39
LCK P06239 2/20 0.39
KDR P35968 2/20 0.39
KIT P10721 2/20 0.39
EGFR P00533 2/20 0.39
ABL1 P00519 1/20 0.38
LDHA P00338 1/20 0.37

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
SCHEMBL4434890 0.91 GRIK1 (0.45) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL19066457 0.84 CSNK2A1 (0.57) DYRK1ACSNK2A1PARP1CSNK2A2CSNK2B
SCHEMBL30052511 0.84 CSNK2A1 (0.57) DYRK1ACSNK2A1PARP1CSNK2A2CSNK2B
SCHEMBL3307100 0.84 ROCK2 (0.56) CSF1RKDREGFR
SCHEMBL3310660 0.84 ROCK2 (0.56) CSF1RKDREGFR
SCHEMBL4442828 0.82 TNKS2 (0.43) TNKS2PARP1MAPK14KITEGFR
SCHEMBL2355475 0.82 RAB9A (0.46) DYRK1ACSNK2A1MAPK14CSNK2A2CSNK2B
SCHEMBL2304728 0.82 DDR2 (0.50) MAPK14LCKKDR
SCHEMBL4434893 0.81 DYRK1A (0.36) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL2304320 0.80 DDR2 (0.53) MAPK14LCKKDRKITABL1

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-8841318-B2 Substituted heterocycles as janus kinase inhibitors INCYTE CORPORATION (US) 2014-09-23 US disclosed
US-20130274257-A1 SUBSTITUTED HETEROCYCLES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2013-10-17 US disclosed
US-8513270-B2 Substituted heterocycles as Janus kinase inhibitors INCYTE CORPORATION (US) 2013-08-20 US disclosed
EP-2121692-B1 SUBSTITUTED HETEROCYCLES AS JANUS KINASE INHIBITORS INCYTE CORP (US) 2013-04-10 EP disclosed
EP-2121692-A1 SUBSTITUTED HETEROCYCLES AS JANUS KINASE INHIBITORS Incyte Corporation (US) 2009-11-25 EP disclosed
US-20080188500-A1 e.g. N-[4-methyl-3-(9H-pyrimido[4,5-b]indol-7-yl)phenyl]-3-(trifluoromethyl)benzamide; Janus kinases inhibitor; anticarcinogenic agent; immune-related diseases, skin disorders, myeloid proliferative disorders INCYTE CORPORATION 2008-08-07 US disclosed
WO-2008079965-A1 SUBSTITUTED HETEROCYCLES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2008-07-03 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-20080188500-A1 e.g. N-[4-methyl-3-(9H-pyrimido[4,5-b]indol-7-yl)phenyl]-3-(trifluoromethyl)benzamide; Janus kinases inhibitor; anticarcinogenic agent; immune-related diseases, skin disorders, myeloid proliferative disorders JAK3, JAK1, JAK2 GRIK1 1505/4885GRIA1 1997/4885GRIA2 2159/4885
US-20130274257-A1 SUBSTITUTED HETEROCYCLES AS JANUS KINASE INHIBITORS JAK1, JAK3, JAK2 GRIK1 1273/4885GRIA1 1760/4885GRIA2 2255/4885

“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.