SCHEMBL4201986

SCHEMBL4201986

Nc1ccc2c(ccn2Cc2ccccn2)c1F

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.58
KCNH2 Q12809 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43
BRD4 O60885 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TLR7 Q9NYK1 12/20 0.39
HTR2A P28223 3/20 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
SCHEMBL4195297 0.77 ALDH1A1 (0.48) SLC2A1KCNH2CYP1A2CYP2C9CYP2C19
SCHEMBL4203272 0.75 SLC2A1 (0.48) SLC2A1KCNH2CYP1A2CYP2C9CYP2C19
SCHEMBL25074358 0.74 SLC2A1 (1.00) SLC2A1
SCHEMBL30252153 0.74 SLC2A1 (1.00) SLC2A1
SCHEMBL3507524 0.72 SLC2A1 (0.54) SLC2A1KCNH2CYP1A2CYP2C9CYP2C19
SCHEMBL31661504 0.72 SLC2A1 (0.54) SLC2A1KCNH2CYP1A2CYP2C9CYP2C19
SCHEMBL3742531 0.71 KDM4E (0.55) SLC2A1CYP1A2CYP2C19KDM4EALDH1A1
SCHEMBL8685682 0.70 SLC2A1 (0.52) SLC2A1KCNH2CYP1A2CYP2C9CYP2C19
SCHEMBL11225244 0.70 CDK4 (0.53) SLC2A1KCNH2CYP1A2CYP2C9CYP2C19
SCHEMBL29928879 0.70 CDK4 (0.53) SLC2A1KCNH2CYP1A2CYP2C9CYP2C19

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090239861-A1 QUINAZOLINE DERIVATIVES AS ANTICANCER AGENTS ASTRAZENECA AB (SE) 2009-09-24 US disclosed
CN-101365695-A Quinazoline derivatives as anticancer agents ASTRAZENECA AB (SE) 2009-02-11 CN disclosed
EP-1940825-A1 QUINAZOLINE DERIVATIVES AS ANTICANCER AGENTS Astra Zeneca AB (SE) 2008-07-09 EP disclosed
WO-2007034143-A1 QUINAZOLINE DERIVATIVES AS ANTICANCER AGENTS ASTRAZENECA AB (SE) 2007-03-29 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 (1 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-20090239861-A1 QUINAZOLINE DERIVATIVES AS ANTICANCER AGENTS ABL1, ERBB2, CDK2 SLC2A1 1417/4885KCNH2 3976/4885CYP1A2 1339/4885

“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.