SCHEMBL1767976

SCHEMBL1767976

CCCCC(C(=O)OCC)c1ccc(NC(=O)/C=N\O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
CYP1A2 P05177 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 2/20 0.39
EPHX1 P07099 1/20 0.38
ACHE P22303 6/20 0.37
TP53 P04637 1/20 0.36
THRB P10828 2/20 0.36
THRA P10827 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
CASR P41180 1/20 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
SCHEMBL12272980 1.00 KMT2A (0.45) KMT2AMEN1CYP1A2NPSR1SMN1; SMN2
SCHEMBL12272978 1.00 KMT2A (0.45) KMT2AMEN1CYP1A2NPSR1SMN1; SMN2
SCHEMBL12273395 0.93 KMT2A (0.47) KMT2AMEN1CYP1A2NPSR1SMN1; SMN2
SCHEMBL12273394 0.93 KMT2A (0.47) KMT2AMEN1CYP1A2NPSR1SMN1; SMN2
SCHEMBL12273396 0.93 KMT2A (0.47) KMT2AMEN1CYP1A2NPSR1SMN1; SMN2
SCHEMBL12273288 0.87 KMT2A (0.47) KMT2AMEN1CYP1A2NPSR1HPGD
SCHEMBL1768112 0.87 KMT2A (0.47) KMT2AMEN1CYP1A2NPSR1HPGD
SCHEMBL28800399 0.81 LMNA (0.39) KMT2AMEN1SMN1; SMN2NPC1HPGD
SCHEMBL12649535 0.78 TGM2 (0.51) KMT2ASMN1; SMN2NPC1HPGDRAB9A
SCHEMBL6204523 0.76 MEN1 (0.49) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8906930-B2 Quinazoline derivatives MERCK PATENT GMBH (DE) 2014-12-09 US disclosed
EP-2504314-A1 QUINAZOLINE DERIVATIVES Merck Patent GmbH (DE) 2012-10-03 EP disclosed
US-20120238582-A1 QUINAZOLINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-09-20 US disclosed
WO-2011060873-A1 QUINAZOLINE DERIVATIVES MERCK PATENT GMBH (DE) 2011-05-26 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-20120238582-A1 QUINAZOLINE DERIVATIVES HSP90AB1, HSP90AA1, HSP90B1 KMT2A 4002/4885MEN1 4488/4885CYP1A2 446/4885

“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.