SCHEMBL4997367

SCHEMBL4997367

Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)c(N)c1-c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.61
RXFP1 Q9HBX9 9/20 0.58
P2RX1 P51575 1/20 0.56
KDR P35968 4/20 0.56
LCK P06239 3/20 0.56
KIT P10721 3/20 0.56
MAPK14 Q16539 3/20 0.56
TRPV4 Q9HBA0 3/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
GAA P10253 1/20 0.53
AHR P35869 1/20 0.53
HSD17B10 Q99714 1/20 0.53
SRC P12931 1/20 0.53
MEN1 O00255 1/20 0.52
MAPT P10636 1/20 0.52
HTT P42858 1/20 0.52
RAB9A P51151 1/20 0.52
KMT2A Q03164 1/20 0.52

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
SCHEMBL5668409 0.83 PTGS1 (0.70) PTGS1RXFP1P2RX1KDRLCK
SCHEMBL12544169 0.79 RXFP1 (0.88) PTGS1RXFP1P2RX1SMN1; SMN2MEN1
SCHEMBL21854590 0.78 RXFP1 (0.62) PTGS1RXFP1P2RX1KDRLCK
SCHEMBL4555402 0.77 GAA (0.65) PTGS1RXFP1KDRLCKKIT
SCHEMBL23056302 0.77 RXFP1 (0.61) PTGS1RXFP1P2RX1KDRLCK
SCHEMBL5014813 0.77 LMNA (0.51) PTGS1RXFP1KDRLCKKIT
SCHEMBL29561761 0.77 HTT (0.69) PTGS1RXFP1P2RX1GAAMEN1
SCHEMBL16670141 0.77 HTT (0.69) PTGS1RXFP1P2RX1GAAMEN1
SCHEMBL29392990 0.76 PTGS1 (1.00) PTGS1RXFP1P2RX1GAAAHR
SCHEMBL4031509 0.76 PTGS1 (1.00) PTGS1RXFP1P2RX1GAAAHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 PTGS1 816/4885RXFP1 4578/4885P2RX1 2862/4885

“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.