SCHEMBL4440267

SCHEMBL4440267

Cc1ccc(NC(=O)c2cc(F)cc(C(F)(F)F)c2)cc1-c1cccc([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 5/20 0.53
BRAF P15056 4/20 0.53
DDR2 Q16832 1/20 0.49
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
MAPT P10636 4/20 0.47
NPC1 O15118 2/20 0.47
LMNA P02545 2/20 0.47
ALDH1A1 P00352 1/20 0.47
NFKB1 P19838 1/20 0.47
RAB9A P51151 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LCK P06239 2/20 0.47
KDR P35968 2/20 0.47
JAK3 P52333 2/20 0.47
MAPK14 Q16539 2/20 0.47
TEK Q02763 1/20 0.47
GPR17 Q13304 1/20 0.47

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 0.89 RAF1 (0.65) RAF1BRAFDDR2MEN1KMT2A
SCHEMBL4436932 0.84 RAF1 (0.55) RAF1BRAFDDR2LCKKDR
SCHEMBL5000367 0.83 BRAF (0.65) RAF1BRAFDDR2MEN1KMT2A
SCHEMBL5000446 0.81 RAF1 (0.61) RAF1BRAFDDR2MEN1KMT2A
SCHEMBL4435396 0.77 RAF1 (0.65) RAF1BRAFGPR17
SCHEMBL2888757 0.77 MEN1 (0.55) RAF1BRAFMEN1KMT2AMAPT
SCHEMBL17413291 0.75 CSF1R (0.53) BRAFMEN1KMT2AMAPTNPC1
SCHEMBL4434896 0.75 RXFP1 (0.63) RAF1BRAFDDR2MEN1KMT2A
SCHEMBL4438459 0.74 PIK3CA (0.48) RAF1BRAFDDR2LCKKDR
SCHEMBL1455150 0.74 MAPT (0.55) MEN1KMT2AMAPTNPC1LMNA

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 59/4885DDR2 833/4885
US-20130274257-A1 SUBSTITUTED HETEROCYCLES AS JANUS KINASE INHIBITORS JAK1, JAK3, JAK2 RAF1 247/4885BRAF 31/4885DDR2 735/4885

“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.