SCHEMBL4035905

SCHEMBL4035905

Fc1cccc(Cn2ccc3c[c]ccc32)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.46
DBH P09172 1/20 0.45
MAOB P27338 1/20 0.43
EPHX2 P34913 4/20 0.43
PPARG P37231 3/20 0.43
EGFR P00533 1/20 0.43
HTR6 P50406 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PLG P00747 1/20 0.41
PLAU P00749 1/20 0.41
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
DPP4 P27487 1/20 0.40
KDM4E B2RXH2 1/20 0.40
PKM P14618 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
SCHEMBL17044139 0.82 CYP19A1 (0.46) PLGPLAUALDH1A1CYP11B1CYP11B2
SCHEMBL4028017 0.82 HTR6 (0.49) HTR6NPC1PLAU
SCHEMBL1104768 0.81 HTR6 (0.55) SLC2A1DBHMAOBEPHX2PPARG
SCHEMBL31258087 0.81 HTR6 (0.55) SLC2A1DBHMAOBEPHX2PPARG
SCHEMBL3507375 0.76 EGFR (0.62) SLC2A1DBHMAOBEPHX2PPARG
SCHEMBL11949599 0.76 DPP4 (0.53) SLC2A1DBHMAOBEPHX2PPARG
SCHEMBL6085951 0.76 EGFR (0.51) SLC2A1DBHMAOBEPHX2PPARG
SCHEMBL2251593 0.76 GRIN1 (0.46) EPHX2PPARGEGFRPKMTSHR
SCHEMBL20172385 0.75 EPHX2 (0.53) SLC2A1DBHMAOBEPHX2PPARG
SCHEMBL694100 0.75 CYP11B1 (0.43) HTR6ALDH1A1CYP11B1KDM4EPKM

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
EP-1444210-B1 QUNAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2009-02-18 EP disclosed
US-20070082921-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB 2007-04-12 US disclosed
US-20050043336-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2005-02-24 US disclosed
EP-1444210-A1 QUNAZOLINE DERIVATIVES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2004-08-11 EP disclosed
WO-2003040108-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2003-05-15 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 (2 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-20050043336-A1 Quinazoline derivatives as antitumor agents ERBB2, ERBB3, ABL1 SLC2A1 3970/4885DBH 4719/4885MAOB 1671/4885
US-20070082921-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 SLC2A1 4136/4885DBH 4253/4885MAOB 1215/4885

“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.