SCHEMBL2961240

SCHEMBL2961240

Cc1[nH]c2ccc(F)cc2c1-c1ccnc2cc(Cl)ccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 2/20 0.48
TLR8 Q9NR97 1/20 0.44
PTGDR2 Q9Y5Y4 3/20 0.43
PTGS1 P23219 1/20 0.43
EIF2AK2 P19525 5/20 0.42
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
HTR7 P34969 2/20 0.41
HTR6 P50406 2/20 0.41
NR4A2 P43354 1/20 0.40
SOS2 Q07890 1/20 0.40
MAPT P10636 1/20 0.39
HTR1B P28222 1/20 0.39
HTR3A P46098 1/20 0.39
AAK1 Q2M2I8 1/20 0.38
IDO1 P14902 1/20 0.38
KIF11 P52732 1/20 0.38
CCNB2 O95067 1/20 0.38
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38

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
SCHEMBL317371 0.88 PTGDR2 (0.52) MAP3K14TLR8PTGDR2PTGS1EIF2AK2
SCHEMBL2951882 0.88 KIF11 (0.49) MAP3K14PTGDR2PTGS1EIF2AK2HTR2A
SCHEMBL2962412 0.83 PTGS2 (0.46) MAP3K14TLR8PTGDR2PTGS1EIF2AK2
SCHEMBL2954873 0.82 TLR8 (0.44) MAP3K14TLR8PTGDR2PTGS1EIF2AK2
SCHEMBL317795 0.81 HTR2A (0.46) MAP3K14TLR8PTGDR2PTGS1EIF2AK2
SCHEMBL317503 0.81 KIF11 (0.46) MAP3K14PTGDR2PTGS1EIF2AK2HTR2A
SCHEMBL2961347 0.79 PTGDR2 (0.44) MAP3K14PTGDR2EIF2AK2HTR2AHTR2C
SCHEMBL3042442 0.78 HTR1A (0.42) MAP3K14PTGDR2PTGS1MAPTCDK5
SCHEMBL2962434 0.77 TLR8 (0.44) MAP3K14TLR8PTGDR2PTGS1NR4A2
SCHEMBL4900473 0.76 TLR8 (0.46) TLR8PTGDR2PTGS1NR4A2SOS2

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 MAP3K14 3677/4885TLR8 2119/4885PTGDR2 429/4885
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 MAP3K14 2656/4885TLR8 950/4885PTGDR2 54/4885

“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.