SCHEMBL5567324

SCHEMBL5567324

Nc1ccc(Oc2nccs2)c(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
CYP3A4 P08684 2/20 0.37
PDE7A Q13946 1/20 0.35
SYK P43405 1/20 0.35
ALDH1A1 P00352 3/20 0.34
NOS1 P29475 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
FBP1 P09467 2/20 0.34
TLR4 O00206 1/20 0.33
TLR2 O60603 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MPO P05164 1/20 0.33
TPO P07202 1/20 0.33
EPX P11678 1/20 0.33
LPO P22079 1/20 0.33
POLB P06746 1/20 0.33
ACLY P53396 1/20 0.32

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
SCHEMBL22000038 0.84 SLC6A2 (0.46) FBP1SLC6A4LMNATDP1
SCHEMBL5569854 0.81 ALDH1A1 (0.37) TSHRALDH1A1NOS1HSD17B10FBP1
SCHEMBL4740349 0.81 ESR1 (0.41) ALDH1A1HSD17B10FBP1TLR4TLR2
SCHEMBL5420160 0.79 SLC6A4 (0.43) CA1CA2FBP1DYRK1ASLC6A4
SCHEMBL25236899 0.78 ALDH1A1 (0.37) TSHRCYP3A4ALDH1A1NOS1HSD17B10
SCHEMBL2986980 0.76 EGFR (0.44) TSHRCYP3A4SYKALDH1A1DYRK1A
SCHEMBL5426770 0.76 ACACB (0.48) LMNACYP2C9
SCHEMBL1964539 0.75 CYP3A4 (0.56) TSHRCYP3A4PDE7AALDH1A1HSD17B10
SCHEMBL5416287 0.74 ACACB (0.49) CYP2C9
SCHEMBL631806 0.73 ALDH1A1 (0.52) TSHRCYP3A4PDE7ASYKALDH1A1

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 3 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
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 TSHR 321/4885CYP3A4 1396/4885PDE7A 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.