SCHEMBL4996591

SCHEMBL4996591

O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(Cl)c(-c2cccc([N+](=O)[O-])c2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.61
LCK P06239 1/20 0.58
TRPV1 Q8NER1 1/20 0.57
MAPT P10636 6/20 0.54
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
POLB P06746 1/20 0.53
BLM P54132 1/20 0.53
LMNA P02545 2/20 0.53
NPC1 O15118 1/20 0.53
ALDH1A1 P00352 1/20 0.53
NFKB1 P19838 1/20 0.53
RAB9A P51151 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
GPR17 Q13304 1/20 0.52
RAF1 P04049 2/20 0.51
BRAF P15056 2/20 0.51
DDR2 Q16832 1/20 0.51

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
SCHEMBL5000367 0.88 BRAF (0.65) RXFP1LCKMAPTMEN1KMT2A
SCHEMBL17103384 0.84 RXFP1 (0.81) RXFP1MAPTMEN1KMT2APOLB
SCHEMBL5002647 0.83 LCK (0.67) RXFP1LCKMAPTMEN1KMT2A
SCHEMBL2851288 0.81 MEN1 (0.75) RXFP1MAPTMEN1KMT2APOLB
SCHEMBL8710692 0.80 RXFP1 (0.81) RXFP1TRPV1MAPTMEN1KMT2A
SCHEMBL4440208 0.80 RAF1 (0.65) RXFP1LCKMAPTMEN1KMT2A
SCHEMBL18146433 0.80 RORC (0.70) RXFP1TRPV1MAPTMEN1KMT2A
SCHEMBL28809368 0.80 MEN1 (0.64) RXFP1MAPTMEN1KMT2APOLB
SCHEMBL4434896 0.79 RXFP1 (0.63) RXFP1LCKMAPTMEN1KMT2A
SCHEMBL28330872 0.78 RXFP1 (0.69) RXFP1TRPV1MAPTMEN1KMT2A

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 RXFP1 4578/4885LCK 50/4885TRPV1 3429/4885
US-20130274257-A1 SUBSTITUTED HETEROCYCLES AS JANUS KINASE INHIBITORS JAK1, JAK3, JAK2 RXFP1 4079/4885LCK 34/4885TRPV1 3836/4885

“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.