SCHEMBL2954873

SCHEMBL2954873

Cc1[nH]c2ccc(F)c(C)c2c1-c1ccnc2cc(Cl)ccc12

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.44
PTGDR2 Q9Y5Y4 3/20 0.42
PTGS1 P23219 1/20 0.42
MAP3K14 Q99558 2/20 0.42
NR4A2 P43354 2/20 0.39
SOS2 Q07890 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
THRB P10828 1/20 0.37
TGFBR1 P36897 1/20 0.37
MAPK14 Q16539 1/20 0.37
EIF2AK2 P19525 2/20 0.37
GRM4 Q14833 1/20 0.36
CYP1A2 P05177 1/20 0.36
FERMT2 Q96AC1 1/20 0.36
ROCK1 Q13464 1/20 0.35

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
SCHEMBL2961240 0.82 MAP3K14 (0.48) TLR8PTGDR2PTGS1MAP3K14NR4A2
SCHEMBL317371 0.80 PTGDR2 (0.52) TLR8PTGDR2PTGS1MAP3K14NR4A2
SCHEMBL2962412 0.75 PTGS2 (0.46) TLR8PTGDR2PTGS1MAP3K14EIF2AK2
SCHEMBL317795 0.73 HTR2A (0.46) TLR8PTGDR2PTGS1MAP3K14EIF2AK2
SCHEMBL4900473 0.72 TLR8 (0.46) TLR8PTGDR2PTGS1NR4A2SOS2
SCHEMBL2962434 0.72 TLR8 (0.44) TLR8PTGDR2PTGS1MAP3K14NR4A2
SCHEMBL2951882 0.70 KIF11 (0.49) PTGDR2PTGS1MAP3K14SMN1; SMN2THRB
SCHEMBL3042442 0.70 HTR1A (0.42) PTGDR2PTGS1MAP3K14SMN1; SMN2
SCHEMBL9430869 0.67 NR4A2 (0.50) TLR8NR4A2SOS2THRBTGFBR1
SCHEMBL4355081 0.67 NR4A2 (0.61) NR4A2SOS2CYP1A2FERMT2

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-20100210685-A1 Novel Substituted Indoles ASTRAZENECA AB (SE) 2010-08-19 US disclosed
US-7754735-B2 Substituted indoles ASTRAZENECA AB (SE) 2010-07-13 US disclosed
US-20050222201-A1 such as 3-(2-chloro-4-quinolinyl)-2,5-dimethyl-1H-indole-1-acetic acid, used for treating respiratory system disorders and as inhibitors of G protein-coupled receptor chemoattractant homologous receptor expressed on lymphocyte cells (CRTH2) ASTRAZENECA AB (SE) 2005-10-06 US disclosed
EP-1549634-A1 NOVEL SUBSTITUTED INDOLES AstraZeneca AB (SE) 2005-07-06 EP disclosed
WO-2003101981-A1 NOVEL SUBSTITUTED INDOLES ASTRAZENECA AB (SE) 2003-12-11 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-20100210685-A1 Novel Substituted Indoles IDO1, IDO2, TPH1 TLR8 2119/4885PTGDR2 429/4885PTGS1 413/4885
US-20050222201-A1 such as 3-(2-chloro-4-quinolinyl)-2,5-dimethyl-1H-indole-1-acetic acid, used for treating respiratory system disorders and as inhibitors of G protein-coupled receptor chemoattractant homologous receptor expressed on lymphocyte cells (CRTH2) HRH2, HRH1, HCAR2 TLR8 950/4885PTGDR2 54/4885PTGS1 191/4885

“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.