SCHEMBL2285019

SCHEMBL2285019

Fc1ccc(-c2cc[nH]c2-c2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.68
GCGR P47871 4/20 0.68
PTGS2 P35354 2/20 0.60
NR4A2 P43354 1/20 0.46
MAPT P10636 1/20 0.43
EGFR P00533 1/20 0.41
MAPK13 O15264 3/20 0.41
MAPK12 P53778 3/20 0.41
MAPK11 Q15759 3/20 0.41
ALOX5 P09917 1/20 0.41
ADORA1 P30542 1/20 0.40
SERPINE1 P05121 1/20 0.39
TGFBR1 P36897 1/20 0.38
PTGS1 P23219 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
SCHEMBL10993716 0.92 MAPK14 (0.78) MAPK14GCGRPTGS2NR4A2MAPK13
SCHEMBL3424232 0.87 MAPT (0.52) MAPK14GCGRPTGS2MAPT
SCHEMBL12270293 0.83 MAPT (0.48) MAPK14GCGRPTGS2MAPTALOX5
SCHEMBL8145210 0.81 MAPK14 (1.00) MAPK14GCGRPTGS2MAPK13MAPK12
SCHEMBL5649479 0.81 MAPK14 (1.00) MAPK14GCGRPTGS2MAPK13MAPK12
SCHEMBL8962658 0.80 RPS6KA3 (0.56) MAPK14GCGRMAPTALOX5
SCHEMBL12270186 0.79 MAPT (0.44) MAPK14GCGRPTGS2MAPT
SCHEMBL10971724 0.78 MAPK14 (0.60) MAPK14GCGRPTGS2MAPK13MAPK12
Piperazine SCHEMBL28105170 0.78 MAPT (0.44) MAPK14GCGRPTGS2MAPT
Pyridine SCHEMBL28104888 0.76 MAPK14 (0.58) MAPK14GCGRMAPT

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-20110207732-A1 AZAINDOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-08-25 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-20110207732-A1 AZAINDOLE DERIVATIVES AZI2, ABL1, RET MAPK14 818/4885GCGR 1573/4885PTGS2 3445/4885

“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.