SCHEMBL2961347

SCHEMBL2961347

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

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.44
MAPK14 Q16539 4/20 0.43
MAP3K14 Q99558 1/20 0.43
EIF2AK2 P19525 7/20 0.42
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR7 P34969 1/20 0.41
HTR6 P50406 1/20 0.41
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
LMNA P02545 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
NR4A2 P43354 1/20 0.40
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37

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
SCHEMBL317189 0.88 PTGDR2 (0.53) PTGDR2MAP3K14EIF2AK2NR1H2NR1H3
SCHEMBL2955003 0.88 MAPK14 (0.47) PTGDR2MAPK14MAP3K14EIF2AK2HTR2A
SCHEMBL2959852 0.85 KIF11 (0.42) PTGDR2MAP3K14EIF2AK2NR1H2NR1H3
SCHEMBL2961945 0.85 NR1H2 (0.47) PTGDR2MAPK14EIF2AK2HTR2AHTR2C
SCHEMBL2958727 0.83 PTGDR2 (0.48) PTGDR2MAPK14EIF2AK2HTR2AHTR2C
SCHEMBL317159 0.83 NR1H2 (0.55) PTGDR2MAP3K14EIF2AK2NR1H2NR1H3
SCHEMBL2961240 0.79 MAP3K14 (0.48) PTGDR2MAP3K14EIF2AK2HTR2AHTR2C
SCHEMBL317746 0.78 PTGDR2 (0.53) PTGDR2MAPK14MAP3K14EIF2AK2MAPK1
SCHEMBL31105587 0.76 MAP3K14 (0.60) MAP3K14EIF2AK2HTR2AHTR2CHTR7
SCHEMBL2951882 0.76 KIF11 (0.49) PTGDR2MAP3K14EIF2AK2HTR2AHTR2C

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 3 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

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 PTGDR2 429/4885MAPK14 3854/4885MAP3K14 3677/4885
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 PTGDR2 54/4885MAPK14 2477/4885MAP3K14 2656/4885

“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.