SCHEMBL4435396

SCHEMBL4435396

Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cccc([N+](=O)[O-])c1

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 19/20 0.65
BRAF P15056 17/20 0.65
GPR17 Q13304 1/20 0.54

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
SCHEMBL4440208 0.85 RAF1 (0.65) RAF1BRAFGPR17
SCHEMBL4436924 0.84 RAF1 (0.69) RAF1BRAF
SCHEMBL16035207 0.84 RAF1 (0.70) RAF1BRAF
SCHEMBL25344781 0.83 KCNQ3 (0.60) RAF1BRAF
SCHEMBL25984184 0.81 RAF1 (0.68) RAF1BRAF
SCHEMBL23482407 0.81 RAF1 (0.67) RAF1BRAF
SCHEMBL25984800 0.80 RAF1 (0.65) RAF1BRAF
SCHEMBL20279746 0.80 RAF1 (0.79) RAF1BRAF
SCHEMBL5000367 0.80 BRAF (0.65) RAF1BRAF
SCHEMBL2851288 0.79 MEN1 (0.75) GPR17

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 RAF1 466/4885BRAF 59/4885GPR17 895/4885
US-20130274257-A1 SUBSTITUTED HETEROCYCLES AS JANUS KINASE INHIBITORS JAK1, JAK3, JAK2 RAF1 247/4885BRAF 31/4885GPR17 739/4885

“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.