SCHEMBL4049346

SCHEMBL4049346

Cc1ncc(C=O)c(C)c1OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 1/20 0.43
CDK1 P06493 1/20 0.43
CDK4 P11802 1/20 0.43
CCNB1 P14635 1/20 0.43
CCND1 P24385 1/20 0.43
CCNB3 Q8WWL7 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 3/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
PTPN1 P18031 1/20 0.41
HPGD P15428 2/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.39

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
SCHEMBL13577660 0.85 LMNA (0.41) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL13107567 0.82 LMNA (0.33) L3MBTL1MAPTLMNAHPGDMAOA
SCHEMBL3442298 0.82 MAOB (0.41) MAPTTDP1MAOB
SCHEMBL2146762 0.81 LMNA (0.50) L3MBTL1MAPTTDP1LMNAPTPN1
SCHEMBL3442225 0.81 PDCD1 (0.48) MAOB
SCHEMBL10247270 0.80 PTPN1 (0.49) L3MBTL1MAPTMAPK1TDP1LMNA
SCHEMBL5665324 0.79 L3MBTL1 (0.43) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL25877526 0.78 PTPN1 (0.48) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL25877949 0.78 PTPN1 (0.45) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL17523247 0.78 MAPT (0.51) CCNB2CDK1CDK4CCNB1CCND1

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 10 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
EP-1824825-A1 SUBSTITUTED PYRIDOXINES AS ANTI-PLATELET AGENTS Medicure International Inc. (BB) 2007-08-29 EP disclosed
US-20060241083-A1 Novel heteroaryl phosphonates as cardioprotective agents MEDICURE INTERNATIONAL INC. (IN) 2006-10-26 US 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
EP-1606295-A1 HETEROARYL PHOSPHONATES, COMPOSITIONS CONTAINING THEM AND METHODS OF TREATMENT OF VARIOUS DISORDERS USING THEM Medicure Inc. (CA) 2005-12-21 EP disclosed
WO-2004083222-A1 NOVEL HETEROARYL PHOSPHONATES AS CARDIOPROTECTIVE AGENTS MEDICURE INC. (CA) 2004-09-30 WO disclosed
US-20040186077-A1 Novel heteroaryl phosphonates as cardioprotective agents MEDICURE INTERNATIONAL INC. (BB) 2004-09-23 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 (4 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-20040186077-A1 Novel heteroaryl phosphonates as cardioprotective agents TNNT2, TNNI3, ADRB3 CCNB2 2567/4885CDK1 2036/4885CDK4 2284/4885
US-20080306108-A1 Substituted Pyridoxines As Anti-Platelet Agents PNPO, GP6, PFKP CCNB2 827/4885CDK1 1560/4885CDK4 1200/4885
US-20060094749-A1 Substituted pyridoxines as anti-platelet agents PNPO, GP6, PFKP CCNB2 827/4885CDK1 1560/4885CDK4 1200/4885
US-20060241083-A1 Novel heteroaryl phosphonates as cardioprotective agents TNNI3, TNNT2, FABP3 CCNB2 3508/4885CDK1 2539/4885CDK4 2803/4885

“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.