SCHEMBL4035941

SCHEMBL4035941

[c]1ccc2c(c1)ccn2Cc1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.45
BRD4 O60885 2/20 0.45
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
GRIN1 Q05586 1/20 0.40
KCNH2 Q12809 1/20 0.40
GRIN2B Q13224 1/20 0.40
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PKM P14618 1/20 0.38
TLR7 Q9NYK1 8/20 0.37
BRD2 P25440 1/20 0.37
BRD3 Q15059 1/20 0.37
GABRA1 P14867 1/20 0.36
GABRA5 P31644 1/20 0.36
KDM4E B2RXH2 1/20 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
SCHEMBL29928879 0.82 CDK4 (0.53) SLC2A1BRD4CYP1A2CYP2C9CYP2C19
SCHEMBL11225244 0.82 CDK4 (0.53) SLC2A1BRD4CYP1A2CYP2C9CYP2C19
SCHEMBL4028017 0.77 HTR6 (0.49) KMT2A
SCHEMBL2253448 0.76 GRIN1 (0.45) CYP1A2GRIN1GRIN2BKMT2AMEN1
SCHEMBL693231 0.75 HTR6 (0.46) GRIN2BKMT2AALDH1A1PKMTLR7
SCHEMBL3507524 0.74 SLC2A1 (0.54) SLC2A1BRD4CYP1A2CYP2C9CYP2C19
SCHEMBL17067797 0.74 BRD4 (0.56) SLC2A1BRD4CYP1A2CYP2C9CYP2C19
SCHEMBL31661504 0.74 SLC2A1 (0.54) SLC2A1BRD4CYP1A2CYP2C9CYP2C19
SCHEMBL28572469 0.74 BRD4 (0.47) SLC2A1BRD4CYP1A2CYP2C9CYP2C19
SCHEMBL16719561 0.73 ALOX15 (0.41) KMT2A

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 12 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 claimed
US-20070088044-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB 2007-04-19 US claimed
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-2003040108-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2003-05-15 WO 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 (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 SLC2A1 3970/4885BRD4 392/4885CYP1A2 870/4885
US-20070088044-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 SLC2A1 4136/4885BRD4 775/4885CYP1A2 1926/4885
US-20050043336-A1 Quinazoline derivatives as antitumor agents ERBB2, ERBB3, ABL1 SLC2A1 3970/4885BRD4 392/4885CYP1A2 870/4885
US-20070082921-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 SLC2A1 4136/4885BRD4 775/4885CYP1A2 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.