SCHEMBL2294986

SCHEMBL2294986

COc1cc(C)c(-c2nc3ccc(F)cn3c2Nc2c(C)cccc2Cl)c(OCC(N)=O)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.40
GAA P10253 5/20 0.39
MAPT P10636 3/20 0.38
CHRNA7 P36544 4/20 0.35
LMNA P02545 2/20 0.34
GLA P06280 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
LCK P06239 4/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
WEE1 P30291 1/20 0.34

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
SCHEMBL2292332 0.97 TRPA1 (0.41) TRPA1GAAMAPTLMNAGLA
SCHEMBL2289770 0.95 GAA (0.40) TRPA1GAAMAPTCHRNA7LMNA
SCHEMBL2289183 0.95 TRPA1 (0.42) TRPA1GAAMAPTSMN1; SMN2CYP11B1
SCHEMBL2295321 0.93 GAA (0.39) TRPA1GAAMAPTCHRNA7LMNA
SCHEMBL2288415 0.93 TRPA1 (0.41) TRPA1GAAMAPTCHRNA7SMN1; SMN2
SCHEMBL2289541 0.92 TRPA1 (0.41) TRPA1GAAMAPTCHRNA7LMNA
SCHEMBL2289540 0.91 TRPA1 (0.36) TRPA1GAAMAPTLMNAGLA
SCHEMBL2292370 0.91 TRPA1 (0.42) TRPA1GAAMAPTCYP11B1CYP11B2
SCHEMBL2290879 0.91 TRPA1 (0.38) TRPA1GAAMAPTLMNAGLA
SCHEMBL2292058 0.90 TRPA1 (0.39) TRPA1GAAMAPTSMN1; SMN2CYP11B1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2032571-B1 3 -AMINO-IMIDAZO[1, 2-A]PYRIDINE DERIVATIVES AS SGLT INHIBITORS MERCK PATENT GMBH (DE) 2014-12-03 EP claimed
EP-2032571-B1 3 -AMINO-IMIDAZO[1, 2-A]PYRIDINE DERIVATIVES AS SGLT INHIBITORS MERCK PATENT GMBH (DE) 2014-12-03 EP disclosed
US-8258151-B2 3-aminoimidazo [1,2-A] pyridine derivatives as SGLT inhibitors MERCK PATENT GMBH (DE) 2012-09-04 US disclosed
US-20110195991-A1 3-AMINOIMIDAZO [1,2-A] PYRIDINE DERIVATIVES AS SGLT INHIBITORS MERCK PATENT GESELLSCHAFT (DE) 2011-08-11 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-20110195991-A1 3-AMINOIMIDAZO [1,2-A] PYRIDINE DERIVATIVES AS SGLT INHIBITORS GLP1R, SLC5A1, SLC5A2 TRPA1 1229/4885GAA 1202/4885MAPT 1138/4885

“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.