SCHEMBL3226898

SCHEMBL3226898

CCOC(=O)c1cc(C#N)c(=O)[nH]c1COCc1ccc(OC)c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.46
MAPT P10636 5/20 0.46
MEN1 O00255 4/20 0.46
ALDH1A1 P00352 3/20 0.46
RXFP1 Q9HBX9 2/20 0.46
KDM4E B2RXH2 7/20 0.45
POLB P06746 3/20 0.45
NPSR1 Q6W5P4 2/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
LMNA P02545 4/20 0.42
HPGD P15428 1/20 0.42
GLA P06280 1/20 0.42
ATM Q13315 1/20 0.42
CDK5 Q00535 2/20 0.42
CDK5R1 Q15078 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
GAA P10253 1/20 0.40

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
SCHEMBL3234070 0.86 EPHX2 (0.38) KMT2AMAPTMEN1ALDH1A1RXFP1
SCHEMBL3329611 0.85 CDK5 (0.55) KMT2AMAPTMEN1ALDH1A1RXFP1
SCHEMBL4105396 0.77 MAPT (0.58) KMT2AMAPTMEN1ALDH1A1RXFP1
SCHEMBL22115166 0.76 MAPT (0.56) KMT2AMAPTMEN1ALDH1A1RXFP1
SCHEMBL26784496 0.75 KDM4E (0.56) KMT2AMAPTMEN1ALDH1A1RXFP1
SCHEMBL3326985 0.75 MAPT (0.55) KMT2AMAPTMEN1ALDH1A1RXFP1
SCHEMBL3587530 0.75 MAPT (0.55) KMT2AMAPTMEN1ALDH1A1RXFP1
SCHEMBL3227136 0.74 MAPT (0.72) KMT2AMAPTMEN1ALDH1A1RXFP1
SCHEMBL3327316 0.74 MAPT (0.52) KMT2AMAPTMEN1ALDH1A1RXFP1
SCHEMBL3330291 0.74 KDM4E (0.48) KMT2AMAPTMEN1ALDH1A1RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137277-A1 PYRIDINE COMPOUNDS AND THEIR USE AS P2Y12 ANTAGONISTS ASTRAZENECA AB (SE) 2010-06-03 US disclosed
WO-2010005384-A1 KETONE PYRIDINE ANALOGUES AND THEIR USE IN THE TREATMENT OF CARDIOVASCULAR DISORDERS ASTRAZENECA AB (SE) 2010-01-14 WO disclosed
EP-2111400-A1 PYRIDINE COMPOUNDS AND THEIR USE AS P2Y12 ANTAGONISTS. AstraZeneca AB (SE) 2009-10-28 EP disclosed
US-20080171732-A1 New Pyridine Analogues IX 519 ASTRAZENECA AB (SE) 2008-07-17 US disclosed
WO-2008085117-A1 PYRIDINE COMPOUNDS AND THEIR USE AS P2Y12 ANTAGONISTS. ASTRAZENECA AB (SE) 2008-07-17 WO 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-20080171732-A1 New Pyridine Analogues IX 519 P2RY12, P2RY11, P2RY1 KMT2A 4487/4885MAPT 3875/4885MEN1 2735/4885
US-20100137277-A1 PYRIDINE COMPOUNDS AND THEIR USE AS P2Y12 ANTAGONISTS P2RY12, P2RY11, P2RY1 KMT2A 4675/4885MAPT 3560/4885MEN1 2602/4885

“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.