SCHEMBL4032232

SCHEMBL4032232

CN1CCC(Oc2cc(N3CC[C@@H](N(C)C)C3)cc3nc[nH]c(=O)c23)CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.40
PDGFRB P09619 1/20 0.36
FGFR1 P11362 1/20 0.36
KDR P35968 1/20 0.36
IP6K1 Q92551 3/20 0.36
IP6K3 Q96PC2 2/20 0.36
IP6K2 Q9UHH9 1/20 0.36
SCD O00767 2/20 0.35
LRRK2 Q5S007 1/20 0.34
MELK Q14680 1/20 0.34
KCNH2 Q12809 1/20 0.33
HTR2B P41595 2/20 0.33
HTR6 P50406 2/20 0.33
SRC P12931 1/20 0.33
TIPARP Q7Z3E1 1/20 0.33
JAK2 O60674 1/20 0.33
FLT3 P36888 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
SCHEMBL4033516 0.90 SYK (0.39) SYKPDGFRBFGFR1KDRIP6K1
SCHEMBL4040627 0.82 SRC (0.42) SYKKDRSRC
SCHEMBL4034080 0.81 IP6K1 (0.40) SYKPDGFRBFGFR1KDRIP6K1
SCHEMBL3275698 0.77 SRC (0.51) KDRLRRK2SRC
SCHEMBL4034708 0.76 SYK (0.39) SYKKDR
SCHEMBL4027494 0.74 PARP1 (0.48) PDGFRBFGFR1KDRSCDLRRK2
SCHEMBL18128959 0.73 SYK (0.42) SYKKDRIP6K1SCDLRRK2
SCHEMBL18128950 0.73 PIK3CD (0.39) SYKPDGFRBKDRLRRK2SRC
SCHEMBL6428901 0.73 KCNH2 (0.32) SYKPDGFRBFGFR1KDRSCD
SCHEMBL5662024 0.73 EGFR (0.49) KDRKCNH2SRC

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 SYK 318/4885PDGFRB 382/4885FGFR1 238/4885
US-20070088044-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 SYK 146/4885PDGFRB 117/4885FGFR1 409/4885

“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.