SCHEMBL2955003

SCHEMBL2955003

Cc1[nH]c2ccc(F)cc2c1-c1ccnc2c(C)cccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.47
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR7 P34969 1/20 0.43
HTR6 P50406 1/20 0.43
PTGS2 P35354 2/20 0.42
CYP2C9 P11712 1/20 0.42
PTGS1 P23219 1/20 0.42
SLC6A4 P31645 1/20 0.42
CYP2C19 P33261 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
EIF2AK2 P19525 1/20 0.41
FLT3 P36888 2/20 0.39
HTR1A P08908 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
GAA P10253 3/20 0.38
MGAM O43451 2/20 0.38
SI P14410 2/20 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
SCHEMBL2961347 0.88 PTGDR2 (0.44) MAPK14HTR2AHTR2CHTR7HTR6
SCHEMBL2952908 0.87 PTGDR2 (0.51) PTGS2CYP2C9PTGS1SLC6A4CYP2C19
SCHEMBL2961945 0.87 NR1H2 (0.47) MAPK14HTR2AHTR2CHTR7HTR6
SCHEMBL2958727 0.85 PTGDR2 (0.48) MAPK14HTR2AHTR2CHTR7HTR6
SCHEMBL317793 0.83 EIF2AK2 (0.50) HTR2CHTR7HTR6EIF2AK2FLT3
SCHEMBL2958277 0.82 NR1H2 (0.44) PTGS2CYP2C9PTGS1SLC6A4CYP2C19
SCHEMBL317746 0.80 PTGDR2 (0.53) MAPK14PTGS2CYP2C9PTGS1SLC6A4
SCHEMBL2951882 0.78 KIF11 (0.49) HTR2AHTR2CHTR7HTR6PTGS2
SCHEMBL317503 0.78 KIF11 (0.46) HTR2AHTR2CHTR7HTR6PTGS2
SCHEMBL2953572 0.76 KIF11 (0.43) PTGDR2EIF2AK2GSK3BKIF11CCNB2

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 MAPK14 3854/4885HTR2A 27/4885HTR2C 17/4885
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 MAPK14 2477/4885HTR2A 171/4885HTR2C 245/4885

“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.