SCHEMBL2817628

SCHEMBL2817628

O=C(/C=N/O)Nc1ccc2c(c1)CCS2(=O)=O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP1A2 P05177 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAPT P10636 1/20 0.44
GPR119 Q8TDV5 4/20 0.41
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.38
ACHE P22303 6/20 0.36
JAK2 O60674 2/20 0.36
JAK1 P23458 2/20 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
SCHEMBL4590166 0.76 NPC1 (0.55) MEN1KMT2ACYP1A2NPSR1MAPT
SCHEMBL1506466 0.76 NPC1 (0.55) MEN1KMT2ACYP1A2NPSR1MAPT
SCHEMBL1506463 0.76 NPC1 (0.55) MEN1KMT2ACYP1A2NPSR1MAPT
SCHEMBL4822117 0.74 CA12 (0.50) MEN1KMT2ACYP1A2NPSR1MAPT
SCHEMBL8649563 0.68 SMN1; SMN2 (0.60) MAPTTP53
SCHEMBL9045231 0.68 SMN1; SMN2 (0.60) MAPTTP53
SCHEMBL14341919 0.67 EPHX1 (0.59) MEN1KMT2ACYP1A2NPSR1MAPT
SCHEMBL733725 0.67 EPHX1 (0.59) MEN1KMT2ACYP1A2NPSR1MAPT
SCHEMBL10578571 0.67 MEN1 (0.67) MEN1KMT2ACYP1A2NPSR1MAPT
SCHEMBL4492505 0.67 KMT2A (0.57) MEN1KMT2ACYP1A2NPSR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7741333-B2 Quinazoline derivatives, their preparation, their use, and medicaments comprising them BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-06-22 US disclosed
US-7741333-B2 Quinazoline derivatives, their preparation, their use, and medicaments comprising them BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-06-22 US disclosed
US-7741333-B2 Quinazoline derivatives, their preparation, their use, and medicaments comprising them BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-06-22 US disclosed
EP-2041143-A1 QUINAZOLINE DERIVATIVES, THEIR PREPARATION, THEIR USE AS TYROSINE KINASE INHIBITORS AND MEDICAMENTS COMPRISING THEM Bayer Schering Pharma Aktiengesellschaft (DE) 2009-04-01 EP disclosed
US-20080019922-A1 QUINAZOLINE DERIVATIVES, THEIR PREPARATION, THEIR USE, AND MEDICAMENTS COMPRISING THEM BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-01-24 US disclosed
US-20080019922-A1 QUINAZOLINE DERIVATIVES, THEIR PREPARATION, THEIR USE, AND MEDICAMENTS COMPRISING THEM BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-01-24 US disclosed
US-20080019922-A1 QUINAZOLINE DERIVATIVES, THEIR PREPARATION, THEIR USE, AND MEDICAMENTS COMPRISING THEM BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-01-24 US disclosed
WO-2007147577-A1 QUINAZOLINE DERIVATIVES, THEIR PREPARATION, THEIR USE AS TYROSINE KINASE INHIBITORS AND MEDICAMENTS COMPRISING THEM BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-12-27 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-20080019922-A1 QUINAZOLINE DERIVATIVES, THEIR PREPARATION, THEIR USE, AND MEDICAMENTS COMPRISING THEM XDH, CYP1A2, RECQL MEN1 572/4885KMT2A 1951/4885CYP1A2 2/4885

“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.