SCHEMBL2286906

SCHEMBL2286906

Cc1cccc(C)c1Nc1c(-c2ccccc2NCC(N)=O)nc2c(F)cc(F)cn12

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.40
TP53 P04637 6/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 10/20 0.38
THRB P10828 2/20 0.35
TRPA1 O75762 1/20 0.34
P2RX7 Q99572 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SYK P43405 1/20 0.33
ALDH1A1 P00352 1/20 0.32
PTGS2 P35354 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL2289963 0.86 TRPA1 (0.44) MAPTTP53SMN1; SMN2GAATRPA1
SCHEMBL2287284 0.84 KCNN4 (0.39) MAPTTP53SMN1; SMN2GAATHRB
SCHEMBL2291175 0.83 MAPT (0.40) MAPTTP53SMN1; SMN2GAATHRB
SCHEMBL2289256 0.80 GAA (0.53) MAPTTP53SMN1; SMN2GAATHRB
SCHEMBL2287280 0.79 MAPT (0.45) MAPTTP53SMN1; SMN2GAATHRB
SCHEMBL2288199 0.78 MAPT (0.41) MAPTTP53SMN1; SMN2GAATHRB
SCHEMBL2292541 0.76 MAPT (0.37) MAPTTP53SMN1; SMN2GAATHRB
SCHEMBL2290054 0.76 MAPT (0.36) MAPTTP53SMN1; SMN2GAATHRB
SCHEMBL2290088 0.76 MAPT (0.39) MAPTTP53SMN1; SMN2GAATHRB
SCHEMBL2289661 0.76 MAPT (0.40) MAPTTP53SMN1; SMN2GAATHRB

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
US-8258151-B2 3-aminoimidazo [1,2-A] pyridine derivatives as SGLT inhibitors MERCK PATENT GMBH (DE) 2012-09-04 US claimed
US-20110195991-A1 3-AMINOIMIDAZO [1,2-A] PYRIDINE DERIVATIVES AS SGLT INHIBITORS MERCK PATENT GESELLSCHAFT (DE) 2011-08-11 US claimed
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 MAPT 1138/4885TP53 4410/4885SMN1; SMN2 3644/4885

“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.