SCHEMBL4028848

SCHEMBL4028848

Cc1cc(N)ccc1NCc1ccccn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.61
KDM4E B2RXH2 3/20 0.61
CYP1A2 P05177 2/20 0.61
CYP3A4 P08684 2/20 0.61
CYP2C9 P11712 2/20 0.61
CYP2C19 P33261 2/20 0.61
CYP2D6 P10635 1/20 0.61
MAOA P21397 3/20 0.59
MAOB P27338 3/20 0.59
RAB9A P51151 2/20 0.51
NPC1 O15118 1/20 0.51
ATAD2 Q6PL18 1/20 0.50
PRMT1 Q99873 1/20 0.46
KCNH2 Q12809 1/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
GAA P10253 2/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL6187553 0.86 CYP1A2 (0.51) MAPTKDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL20584182 0.84 MAOA (0.60) MAPTKDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL15452644 0.82 MAPT (0.61) MAPTKDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL13780480 0.82 MAPT (0.61) MAPTKDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL2397579 0.81 GAA (0.60) MAPTKDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL10585630 0.79 ATAD2 (0.53) MAPTKDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL6795704 0.77 MAPT (0.52) MAPTKDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL4033959 0.77 MAPT (0.66) MAPTKDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL15722555 0.77 MAOA (0.51) MAPTKDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL15722570 0.75 MAOA (0.50) MAPTKDM4ECYP1A2CYP3A4CYP2C9

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 MAPT 4300/4885KDM4E 2435/4885CYP1A2 870/4885
US-20070082921-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 MAPT 4124/4885KDM4E 2238/4885CYP1A2 1926/4885

“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.