SCHEMBL4048854

SCHEMBL4048854

Cc1ncc(CCN)c2c1OC(C)(C)OC2

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.69
ALDH1A1 P00352 1/20 0.69
MAPK1 P28482 1/20 0.69
MAOB P27338 4/20 0.47
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
MAPT P10636 2/20 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
SCHEMBL3443164 0.89 KMT2A (0.72) KMT2AALDH1A1MAPK1MAOBHCRTR1
SCHEMBL10953367 0.83 KMT2A (0.97) KMT2AALDH1A1MAPK1MAOBHCRTR1
SCHEMBL11458508 0.83 KMT2A (0.72) KMT2AALDH1A1MAPK1MAOBHCRTR1
SCHEMBL14062525 0.83 KMT2A (0.72) KMT2AALDH1A1MAPK1MAOBHCRTR1
SCHEMBL11012435 0.83 ALDH1A1 (0.72) KMT2AALDH1A1MAPK1MAOBHCRTR1
SCHEMBL14015231 0.81 KMT2A (0.69) KMT2AALDH1A1MAPK1MAOBHCRTR1
SCHEMBL4929288 0.80 KMT2A (0.67) KMT2AALDH1A1MAPK1MAOBHCRTR1
SCHEMBL13988500 0.78 KMT2A (0.66) KMT2AALDH1A1MAPK1MAOBHCRTR1
SCHEMBL14063365 0.78 ALDH1A1 (0.58) KMT2AALDH1A1MAPK1MAOBHCRTR1
SCHEMBL8517287 0.77 KMT2A (0.64) KMT2AALDH1A1MAPK1MAOBHCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1824825-A4 SUBSTITUTED PYRIDOXINES AS ANTI-PLATELET AGENTS MEDICURE INT INC (BB) 2009-07-08 EP disclosed
US-20080306108-A1 Substituted Pyridoxines As Anti-Platelet Agents MEDICURE INTERNATIONAL INC. (BB) 2008-12-11 US disclosed
US-20080306108-A1 Substituted Pyridoxines As Anti-Platelet Agents MEDICURE INTERNATIONAL INC. (BB) 2008-12-11 US disclosed
US-20080306108-A1 Substituted Pyridoxines As Anti-Platelet Agents MEDICURE INTERNATIONAL INC. (BB) 2008-12-11 US disclosed
EP-1824825-A1 SUBSTITUTED PYRIDOXINES AS ANTI-PLATELET AGENTS Medicure International Inc. (BB) 2007-08-29 EP disclosed
WO-2006045203-A1 SUBSTITUTED PYRIDOXINES AS ANTI-PLATELET AGENTS MEDICURE INTERNATIONAL INC. (CA) 2006-05-04 WO disclosed
US-20060094749-A1 Substituted pyridoxines as anti-platelet agents MEDICURE INTERNATIONAL INC. 2006-05-04 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-20080306108-A1 Substituted Pyridoxines As Anti-Platelet Agents PNPO, GP6, PFKP KMT2A 4721/4885ALDH1A1 1958/4885MAPK1 3668/4885
US-20060094749-A1 Substituted pyridoxines as anti-platelet agents PNPO, GP6, PFKP KMT2A 4721/4885ALDH1A1 1958/4885MAPK1 3668/4885

“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.