SCHEMBL554614

SCHEMBL554614

CCOC(=O)c1cnn(Cc2ccc(CO[Si](C)(C)C(C)(C)C)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.45
KLKB1 P03952 10/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
ESR1 P03372 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
ESR2 Q92731 1/20 0.39
CA14 Q9ULX7 1/20 0.39
HTT P42858 1/20 0.38
NPC1 O15118 1/20 0.38
HSD17B10 Q99714 1/20 0.38
UCHL1 P09936 1/20 0.37
KLK1 P06870 1/20 0.37
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL28595790 0.84 ESR1 (0.55) GRM2KLKB1LMNAALDH1A1CA12
SCHEMBL31075219 0.84 GRM2 (0.44) GRM2KLKB1KLK1KDM4E
SCHEMBL30739022 0.83 GRM2 (0.49) GRM2KLKB1LMNAALDH1A1CA12
SCHEMBL1909166 0.83 GRM2 (0.53) GRM2KLKB1LMNAALDH1A1CA12
SCHEMBL2821953 0.82 LMNA (0.54) GRM2KLKB1LMNAALDH1A1CA12
SCHEMBL3092869 0.81 HSD17B10 (0.51) GRM2KLKB1LMNAALDH1A1HTT
SCHEMBL554548 0.81 GRM2 (0.51) GRM2KLKB1LMNAALDH1A1CA12
SCHEMBL553801 0.81 GRM2 (0.53) GRM2KLKB1LMNAALDH1A1CA12
SCHEMBL16246754 0.81 KLKB1 (0.57) GRM2KLKB1LMNAALDH1A1NPC1
SCHEMBL13860366 0.80 L3MBTL1 (0.43) GRM2LMNAALDH1A1CA12CA1

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-9290485-B2 N-((6-amino-pyridin-3-yl)methyl)-heteroaryl-carboxamides NOVARTIS AG (CH) 2016-03-22 US disclosed
EP-2601189-B1 N-((6-AMINO-PYRIDIN-3-YL)METHYL)-HETEROARYL-CARBOXAMIDES AS INHIBITORS OF PLASMA KALLIKREIN NOVARTIS AG (CH) 2015-04-15 EP disclosed
US-20120035168-A1 N-((6-AMINO-PYRIDIN-3-YL)METHYL)-HETEROARYL-CARBOXAMIDES NOVARTIS AG (CH) 2012-02-09 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-20120035168-A1 N-((6-AMINO-PYRIDIN-3-YL)METHYL)-HETEROARYL-CARBOXAMIDES TPMT, REN, PNMT GRM2 237/4885KLKB1 4526/4885LMNA 1188/4885

“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.