SCHEMBL4031371

SCHEMBL4031371

O=c1[nH]cnc2cccc(OC3CCOC3)c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.45
LRRK2 Q5S007 3/20 0.42
QPCT Q16769 1/20 0.38
QPCTL Q9NXS2 1/20 0.38
SRC P12931 1/20 0.38
SYK P43405 4/20 0.37
JAK2 O60674 2/20 0.37
LYN P07948 2/20 0.37
ZAP70 P43403 2/20 0.37
HTR4 Q13639 1/20 0.36
NTRK1 P04629 1/20 0.36
NTRK3 Q16288 1/20 0.36
NTRK2 Q16620 1/20 0.36
PDPK1 O15530 1/20 0.36
CA12 O43570 1/20 0.36
ALOX15 P16050 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CA9 Q16790 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
EGFR P00533 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
SCHEMBL4030932 0.93 PARP1 (0.47) PARP1LRRK2QPCTQPCTLSRC
SCHEMBL4030070 0.80 PARP1 (0.45) PARP1LRRK2SRCJAK2HTR4
SCHEMBL4033839 0.79 EGFR (0.49) LRRK2SRCSYKEGFRPDE4B
SCHEMBL4027494 0.78 PARP1 (0.48) PARP1LRRK2SRCSMN1; SMN2EGFR
SCHEMBL4032074 0.78 IP6K1 (0.47) LRRK2SRCNTRK1NTRK3NTRK2
SCHEMBL13606771 0.78 PIK3CD (0.44) LRRK2SRCSYKNTRK1NTRK3
SCHEMBL4535771 0.78 PIK3CD (0.44) LRRK2SRCSYKNTRK1NTRK3
SCHEMBL4535757 0.78 PIK3CD (0.44) LRRK2SRCSYKNTRK1NTRK3
SCHEMBL5803519 0.75 DCPS (0.40) LRRK2QPCTQPCTLSRCHTR4
SCHEMBL6675516 0.75 PARP1 (0.40) PARP1LRRK2SYKJAK2LYN

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 PARP1 895/4885LRRK2 1083/4885QPCT 54/4885
US-20070082921-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 PARP1 1062/4885LRRK2 1054/4885QPCT 17/4885

“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.