SCHEMBL4194895

SCHEMBL4194895

O=C1c2ccccc2C(=O)N1c1ccc2[nH]ccc2c1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
HTT P42858 1/20 0.40
CYP3A4 P08684 1/20 0.38
NFKB1 P19838 1/20 0.38
PMP22 Q01453 1/20 0.38
PARP1 P09874 1/20 0.37
CASP1 P29466 1/20 0.37
GRM1 Q13255 1/20 0.36
MAPK14 Q16539 2/20 0.36
SCN2A Q99250 1/20 0.35
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
NR1H2 P55055 2/20 0.35
NR1H3 Q13133 2/20 0.35
ADRB1 P08588 1/20 0.35
HTR6 P50406 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL4666503 0.75 HTT (0.44) POLBHTTCYP3A4NFKB1PMP22
SCHEMBL3914777 0.75 POLB (0.41) POLBHTTCYP3A4NFKB1PMP22
SCHEMBL4198080 0.73 GPR84 (0.51) POLBCYP3A4NFKB1PMP22CASP1
SCHEMBL29562162 0.68 ESR1 (0.49) POLBCYP3A4NFKB1PMP22CASP1
SCHEMBL2126132 0.68 POLB (0.42) POLBHTTCYP3A4NFKB1PMP22
SCHEMBL22832106 0.68 ESR1 (0.49) POLBCYP3A4NFKB1PMP22CASP1
SCHEMBL18171651 0.67 PRKCQ (0.42) PARP1NPC1MAPT
SCHEMBL18554452 0.66 POLB (0.51) POLBHTTCYP3A4NFKB1PMP22
SCHEMBL10824922 0.66 KMT2A (0.58) POLBCYP3A4NFKB1PMP22CASP1
SCHEMBL803139 0.66 KMT2A (0.50) POLBCYP3A4SCN2AESR1NR1H3

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 POLB 1601/4885HTT 3758/4885CYP3A4 1210/4885

“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.