SCHEMBL3977586

SCHEMBL3977586

OCCCNCc1cccc(B(O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.56
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.48
LPL P06858 2/20 0.47
LIPG Q9Y5X9 2/20 0.47
CHRM2 P08172 3/20 0.46
MPO P05164 1/20 0.43
SCN8A Q9UQD0 1/20 0.43
MAOA P21397 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
CXCR4 P61073 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
SCHEMBL10855431 0.84 KDM4E (0.57) MEN1KMT2AKDM4EPOLBCHRM2
SCHEMBL6352816 0.80 ENPP2 (0.58) ENPP2MEN1KMT2AKDM4ELPL
SCHEMBL3972644 0.78 ENPP2 (0.52) ENPP2MEN1KMT2AKDM4ELPL
SCHEMBL202958 0.78 LPL (0.69) ENPP2KDM4ELPLLIPG
SCHEMBL1722682 0.75 ENPP2 (0.53) ENPP2KDM4ELPLLIPG
Water SCHEMBL27599004 0.75 KDM4E (0.49) MEN1KMT2AKDM4EPOLBCHRM2
Water SCHEMBL27599005 0.75 KDM4E (0.49) MEN1KMT2AKDM4EPOLBCHRM2
SCHEMBL304695 0.75 MAOA (0.72) MEN1KMT2ACHRM2MPOSCN8A
SCHEMBL3965528 0.74 ENPP2 (0.51) ENPP2KDM4ELPLLIPGMPO
SCHEMBL6358240 0.74 ENPP2 (0.51) ENPP2MEN1KMT2AKDM4ELPL

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-7547702-B2 4-amino-quinazolines ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2009-06-16 US disclosed
US-20060019974-A1 Glycoprotein antagonist; anticholesterol agents; cardiovascular disorders; strokes; antiischemic agents ORTHO-MCNEIL PHARMACEUTICALS, INC. 2006-01-26 US disclosed
WO-2004030672-A1 USE OF 4 AMINO-QUINAZOLINES AS ANTI CANCER AGENTS MERCK PATENT GMBH (DE) 2004-04-15 WO disclosed
EP-1318984-A1 4-AMINO-QUINAZOLINES MERCK PATENT GmbH (DE) 2003-06-18 EP disclosed
WO-2002024667-A1 4-AMINO-QUINAZOLINES MERCK PATENT GMBH (DE) 2002-03-28 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 (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-20060019974-A1 Glycoprotein antagonist; anticholesterol agents; cardiovascular disorders; strokes; antiischemic agents SERPINA3, APOL1, MGAT3 ENPP2 1398/4885MEN1 3915/4885KMT2A 4812/4885

“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.