SCHEMBL4027494

SCHEMBL4027494

CN1CCC(Oc2cccc3nc[nH]c(=O)c23)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.48
EGFR P00533 7/20 0.46
ERBB2 P04626 4/20 0.46
SRC P12931 2/20 0.46
PDGFRB P09619 1/20 0.45
FGFR1 P11362 1/20 0.45
KDR P35968 1/20 0.45
LRRK2 Q5S007 1/20 0.43
TIPARP Q7Z3E1 1/20 0.42
KCNH2 Q12809 1/20 0.41
KDM4E B2RXH2 2/20 0.40
NPY1R P25929 1/20 0.40
NPY2R P49146 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SCD O00767 2/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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 0.82 PARP1 (0.47) PARP1EGFRERBB2SRCLRRK2
SCHEMBL3277156 0.82 KDM1A (0.49)
SCHEMBL3275698 0.80 SRC (0.51) EGFRSRCKDRLRRK2
SCHEMBL3279714 0.80 SRC (0.49) PARP1EGFRERBB2SRCLRRK2
SCHEMBL4031371 0.78 PARP1 (0.45) PARP1EGFRERBB2SRCLRRK2
SCHEMBL3278994 0.78 IP6K1 (0.47) EGFRSRCKDR
SCHEMBL4030070 0.78 PARP1 (0.45) PARP1SRCPDGFRBFGFR1KDR
SCHEMBL23124276 0.76 KDM4E (0.41) LRRK2KDM4ENPY1RNPY2RSMN1; SMN2
SCHEMBL4029452 0.75 EGFR (0.60) EGFRERBB2SRCFGFR1KDR
SCHEMBL3051495 0.74 PARP1 (0.63) PARP1EGFRSRCKDM4ESMN1; SMN2

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 10 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
EP-1444211-B1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2009-01-21 EP disclosed
US-20070088044-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB 2007-04-19 US disclosed
US-20070082921-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB 2007-04-12 US disclosed
US-20050054662-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2005-03-10 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
EP-1444211-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2004-08-11 EP disclosed
WO-2003040109-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2003-05-15 WO 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 (4 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-20050054662-A1 Quinazoline derivatives as antitumor agents ERBB2, ERBB3, ABL1 PARP1 895/4885EGFR 4/4885ERBB2 1/4885
US-20070088044-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 PARP1 1062/4885EGFR 2/4885ERBB2 1/4885
US-20050043336-A1 Quinazoline derivatives as antitumor agents ERBB2, ERBB3, ABL1 PARP1 895/4885EGFR 4/4885ERBB2 1/4885
US-20070082921-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 PARP1 1062/4885EGFR 2/4885ERBB2 1/4885

“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.