SCHEMBL6980301

SCHEMBL6980301

O=c1c2ccccc2n(CCCn2ccnc2)c(=O)n1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
QPCT Q16769 2/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP19A1 P11511 1/20 0.42
PGR P06401 1/20 0.42
GSK3B P49841 1/20 0.42
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NOS1 P29475 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
SCHEMBL6979770 0.92 FNTA (0.46) TSHRQPCTGAAKMT2ACYP19A1
SCHEMBL6973665 0.91 CYP19A1 (0.50) TSHRQPCTGAAKMT2ACYP19A1
SCHEMBL6980841 0.86 CYP1A2 (0.51) TSHRQPCTGAAKMT2ACYP1A2
SCHEMBL6977516 0.85 PGR (0.58) TSHRQPCTGAAKMT2APGR
SCHEMBL6979646 0.84 TSHR (0.52) TSHRQPCTGAAKMT2APGR
SCHEMBL6978590 0.84 QPCT (0.49) TSHRQPCTGAAKMT2ACYP19A1
SCHEMBL6972018 0.83 TSHR (0.47) TSHRQPCTGAAKMT2ACYP1A2
SCHEMBL6981540 0.83 TSHR (0.47) TSHRQPCTGAAKMT2APGR
SCHEMBL6979105 0.82 CYP1A2 (0.52) TSHRQPCTGAAKMT2ACYP1A2
SCHEMBL6980755 0.82 TSHR (0.54) TSHRQPCTGAAKMT2ACYP19A1

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 3090/4885QPCT 263/4885GAA 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.