SCHEMBL6972018

SCHEMBL6972018

O=c1c2ccccc2n(CCCn2ccnc2)c(=O)n1-c1ccccc1C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.46
QPCT Q16769 1/20 0.46
MAPK1 P28482 3/20 0.42
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
PMP22 Q01453 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ESR1 P03372 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL6978222 0.88 TSHR (0.50) TSHRKMT2AGAAQPCTMAPK1
SCHEMBL6972602 0.85 TSHR (0.49) TSHRKMT2AGAAQPCTCYP1A2
SCHEMBL6982150 0.85 TSHR (0.52) TSHRKMT2AGAAQPCTMAPK1
SCHEMBL6977534 0.85 TSHR (0.52) TSHRKMT2AGAAQPCTMAPK1
SCHEMBL6980842 0.85 TSHR (0.49) TSHRKMT2AGAAQPCTMAPK1
SCHEMBL6973665 0.84 CYP19A1 (0.50) TSHRKMT2AGAAQPCTMAPT
SCHEMBL6980301 0.83 TSHR (0.46) TSHRKMT2AGAAQPCTCYP1A2
SCHEMBL6976772 0.82 QPCT (0.51) TSHRKMT2AGAAQPCTMAPK1
SCHEMBL6982552 0.82 ALDH1A1 (0.50) TSHRKMT2AGAAQPCTMAPK1
SCHEMBL6981013 0.82 TSHR (0.52) TSHRKMT2AGAAQPCTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030199530-A1 New compounds derived from quinazoline LES LABORATORIES SERVIER (FR) 2003-10-23 US disclosed
EP-1346992-A1 Quinazoline derivatives, process for their preparation and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2003-09-24 EP 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-20030199530-A1 New compounds derived from quinazoline NQO2, XDH, DRD1 TSHR 3090/4885KMT2A 2578/4885GAA 638/4885

“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.