SCHEMBL5000367

SCHEMBL5000367

Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1cccc([N+](=O)[O-])c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 7/20 0.65
RAF1 P04049 7/20 0.65
RXFP1 Q9HBX9 2/20 0.61
DDR2 Q16832 3/20 0.60
LCK P06239 4/20 0.58
MAPK14 Q16539 4/20 0.58
KDR P35968 3/20 0.58
JAK3 P52333 2/20 0.58
TEK Q02763 2/20 0.58
KIT P10721 3/20 0.56
ABL1 P00519 1/20 0.56
BCR P11274 1/20 0.56
DDR1 Q08345 1/20 0.56
MAPT P10636 3/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
NPC1 O15118 1/20 0.55
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
NFKB1 P19838 1/20 0.55

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 0.92 RAF1 (0.65) BRAFRAF1RXFP1DDR2LCK
SCHEMBL4434896 0.91 RXFP1 (0.63) BRAFRAF1RXFP1DDR2LCK
SCHEMBL4996591 0.88 RXFP1 (0.61) BRAFRAF1RXFP1DDR2LCK
SCHEMBL17103384 0.84 RXFP1 (0.81) RXFP1MAPTMEN1KMT2ANPC1
SCHEMBL4440267 0.83 RAF1 (0.53) BRAFRAF1RXFP1DDR2LCK
SCHEMBL4436627 0.83 MAPK14 (0.67) BRAFRAF1DDR2LCKMAPK14
SCHEMBL5000446 0.83 RAF1 (0.61) BRAFRAF1RXFP1DDR2LCK
SCHEMBL16735358 0.82 MAPT (0.64) RXFP1LCKMAPK14KDRKIT
SCHEMBL2851288 0.81 MEN1 (0.75) RXFP1MAPTMEN1KMT2ANPC1
SCHEMBL8710692 0.80 RXFP1 (0.81) RXFP1MAPTMEN1KMT2ANPC1

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 5 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
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

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

“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.