SCHEMBL5566280

SCHEMBL5566280

O=[N+]([O-])c1ccc(Oc2ccccn2)c(Cl)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.62
MEN1 O00255 3/20 0.62
PDE7A Q13946 2/20 0.53
MAPT P10636 4/20 0.51
ALDH1A1 P00352 3/20 0.51
HPGD P15428 3/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
THRA P10827 1/20 0.51
TP53 P04637 1/20 0.49
PIN1 Q13526 1/20 0.49
PKM P14618 2/20 0.46

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
SCHEMBL5569948 0.83 ALDH1A1 (0.47) KMT2AMEN1PDE7AMAPTALDH1A1
SCHEMBL31463540 0.83 KMT2A (0.44) KMT2AMEN1PDE7AMAPTALDH1A1
SCHEMBL15903036 0.83 PIN1 (0.51) KMT2AMEN1PDE7AMAPTALDH1A1
SCHEMBL1149069 0.81 PDE7A (0.53) KMT2AMEN1PDE7AMAPTALDH1A1
SCHEMBL31721191 0.81 L3MBTL1 (0.49) KMT2AMEN1PDE7AMAPTALDH1A1
SCHEMBL11511746 0.80 PDE7A (0.71) KMT2AMEN1PDE7AMAPTALDH1A1
SCHEMBL30098850 0.79 HPGD (0.63) KMT2AMEN1PDE7AMAPTALDH1A1
SCHEMBL22069578 0.79 HPGD (0.63) KMT2AMEN1PDE7AMAPTALDH1A1
Dinitrophenylene SCHEMBL28230311 0.79 TSHR (0.57) KMT2AMEN1MAPTALDH1A1NPC1
SCHEMBL4468270 0.78 PDE7A (0.58) KMT2AMEN1PDE7AMAPTALDH1A1

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-20070232607-A1 Quinazoline Derivatives as Erbb Receptor Tyrosine kinases BRADBURY ROBERT H 2007-10-04 US disclosed
CN-1993349-A Quinazoline derivatives as ERBB receptor tyrosine kinases ASTRAZENECA AB (SE) 2007-07-04 CN disclosed
EP-1756088-A1 QUINAZOLINE DERIVATIVES AS ERBB RECEPTOR TYROSINE KINASES AstraZeneca AB (SE) 2007-02-28 EP disclosed
WO-2005118572-A1 QUINAZOLINE DERIVATIVES AS ERBB RECEPTOR TYROSINE KINASES ASTRAZENECA AB (SE) 2005-12-15 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-20070232607-A1 Quinazoline Derivatives as Erbb Receptor Tyrosine kinases ERBB2, ERBB3, ERBB4 KMT2A 2263/4885MEN1 1605/4885PDE7A 2451/4885

“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.