SCHEMBL4032074

SCHEMBL4032074

O=c1[nH]cnc2cc(OCc3ccccc3)cc(OC3CCOC3)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 2/20 0.47
PARP14 Q460N5 1/20 0.42
PDE4D Q08499 4/20 0.39
PDE4A P27815 3/20 0.39
PDE4B Q07343 3/20 0.39
PDE4C Q08493 3/20 0.39
NTRK1 P04629 1/20 0.38
NTRK3 Q16288 1/20 0.38
NTRK2 Q16620 1/20 0.38
EGFR P00533 2/20 0.38
LRRK2 Q5S007 3/20 0.37
SRC P12931 1/20 0.36
KDR P35968 1/20 0.36
CTSL P07711 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
NSD2 O96028 1/20 0.35
ABL1 P00519 1/20 0.35
PPARG P37231 1/20 0.35
RIN1 Q13671 1/20 0.35
NCOR2 Q9Y618 1/20 0.35

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
SCHEMBL3283187 0.94 IP6K1 (0.48) IP6K1PARP14EGFRLRRK2SRC
SCHEMBL4033821 0.87 IP6K1 (0.51) IP6K1PARP14PDE4DPDE4APDE4B
SCHEMBL3278994 0.83 IP6K1 (0.47) IP6K1EGFRSRCKDR
SCHEMBL4033839 0.83 EGFR (0.49) PDE4DPDE4APDE4BPDE4CEGFR
SCHEMBL1446170 0.82 IP6K1 (0.50) IP6K1PARP14PDE4DPDE4APDE4B
SCHEMBL17165601 0.82 IP6K1 (0.50) IP6K1PARP14PDE4DPDE4APDE4B
SCHEMBL1446169 0.82 IP6K1 (0.50) IP6K1PARP14PDE4DPDE4APDE4B
SCHEMBL3275718 0.81 IP6K1 (0.61) IP6K1L3MBTL1NSD2ABL1PPARG
SCHEMBL29717416 0.81 IP6K1 (0.61) IP6K1L3MBTL1NSD2ABL1PPARG
SCHEMBL31728743 0.78 IP6K1 (0.57) IP6K1L3MBTL1NSD2ABL1PPARG

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-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-20050054662-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2005-03-10 US 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

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-20050054662-A1 Quinazoline derivatives as antitumor agents ERBB2, ERBB3, ABL1 IP6K1 1603/4885PARP14 1462/4885PDE4D 3030/4885
US-20070088044-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 IP6K1 1796/4885PARP14 1763/4885PDE4D 3566/4885

“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.