SCHEMBL4192079

SCHEMBL4192079

Nc1ccc2c(ccn2Cc2ccc(F)nc2)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.48
KMT2A Q03164 1/20 0.46
EGFR P00533 2/20 0.44
PLAU P00749 3/20 0.43
PLG P00747 2/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
MAOB P27338 1/20 0.41
PPARG P37231 3/20 0.40
PRKCI P41743 1/20 0.40
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
EPHX2 P34913 1/20 0.38
ERBB2 P04626 1/20 0.37

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
SCHEMBL2768186 0.81 HTR6 (0.58) HTR6EGFRPLAUPLGMAOB
SCHEMBL30364634 0.79 HTR6 (0.51) HTR6EGFRPLAUPLGPPARG
SCHEMBL4201077 0.79 PLG (0.44) KMT2APLAUPLGCYP11B1CYP11B2
SCHEMBL30364561 0.79 HTR6 (0.50) HTR6EGFRPLAUPLGPPARG
SCHEMBL3375418 0.78 GRIN1 (0.49) EGFRCYP11B1CYP11B2ERBB2
SCHEMBL31661458 0.77 PLAU (0.50) HTR6EGFRPLAUPLGCYP11B1
SCHEMBL7084091 0.77 PLAU (0.50) HTR6EGFRPLAUPLGCYP11B1
SCHEMBL31661563 0.76 HTR6 (0.54) HTR6EGFRPLAUPLGMAOB
SCHEMBL7086252 0.76 HTR6 (0.54) HTR6EGFRPLAUPLGMAOB
SCHEMBL20680594 0.76 HTR6 (0.58) HTR6KMT2AEGFRPLAUPLG

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 3 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
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 HTR6 2648/4885KMT2A 2116/4885EGFR 7/4885

“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.