SCHEMBL4434896

SCHEMBL4434896

Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.63
BRAF P15056 7/20 0.61
RAF1 P04049 6/20 0.61
DDR2 Q16832 4/20 0.61
MAPK14 Q16539 5/20 0.59
LCK P06239 4/20 0.59
KDR P35968 3/20 0.59
JAK3 P52333 2/20 0.59
TEK Q02763 2/20 0.59
MAPT P10636 2/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
LMNA P02545 1/20 0.55
KIT P10721 3/20 0.53
SRC P12931 2/20 0.53
EPHA3 P29320 1/20 0.53
FRK P42685 1/20 0.53
ABL1 P00519 1/20 0.53
BCR P11274 1/20 0.53
DDR1 Q08345 1/20 0.53

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
SCHEMBL5000446 0.92 RAF1 (0.61) RXFP1BRAFRAF1DDR2MAPK14
SCHEMBL5000367 0.91 BRAF (0.65) RXFP1BRAFRAF1DDR2MAPK14
SCHEMBL8710692 0.86 RXFP1 (0.81) RXFP1MAPTMEN1KMT2ALMNA
SCHEMBL4435452 0.85 MAPK14 (0.68) BRAFRAF1DDR2MAPK14LCK
SCHEMBL4440208 0.83 RAF1 (0.65) RXFP1BRAFRAF1DDR2MAPK14
SCHEMBL16735358 0.83 MAPT (0.64) RXFP1MAPK14LCKKDRMAPT
SCHEMBL17103384 0.80 RXFP1 (0.81) RXFP1MAPTMEN1KMT2ALMNA
SCHEMBL4436627 0.80 MAPK14 (0.67) BRAFRAF1DDR2MAPK14LCK
SCHEMBL13220068 0.80 KDR (0.74) BRAFRAF1DDR2MAPK14LCK
SCHEMBL16246847 0.79 GPR17 (0.69) RXFP1MAPTMEN1KMT2ALMNA

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 RXFP1 4578/4885BRAF 59/4885RAF1 466/4885
US-20130274257-A1 SUBSTITUTED HETEROCYCLES AS JANUS KINASE INHIBITORS JAK1, JAK3, JAK2 RXFP1 4079/4885BRAF 31/4885RAF1 247/4885

“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.