SCHEMBL6982136

SCHEMBL6982136

O=c1c2ccccc2n(CCCn2ccnc2)c(=O)n1-c1ccccc1Nc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
GAA P10253 1/20 0.49
JAK2 O60674 1/20 0.48
PRKCB P05771 1/20 0.48
PRKCA P17252 1/20 0.48
JAK1 P23458 1/20 0.48
TYK2 P29597 1/20 0.48
JAK3 P52333 1/20 0.48
PRKCE Q02156 1/20 0.48
QPCT Q16769 2/20 0.47
KMT2A Q03164 1/20 0.47
MAPK1 P28482 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 3/20 0.44
HSD17B10 Q99714 2/20 0.44
ESR1 P03372 1/20 0.44
ALOX15 P16050 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43

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
SCHEMBL6981544 0.87 TSHR (0.50) TSHRGAAJAK2PRKCBPRKCA
SCHEMBL6978222 0.84 TSHR (0.50) TSHRGAAQPCTKMT2AMAPK1
SCHEMBL6980842 0.83 TSHR (0.49) TSHRGAAQPCTKMT2AMAPK1
SCHEMBL6972602 0.83 TSHR (0.49) TSHRGAAQPCTKMT2AHSD17B10
SCHEMBL6982150 0.83 TSHR (0.52) TSHRGAAQPCTKMT2AMAPK1
SCHEMBL6977534 0.83 TSHR (0.52) TSHRGAAQPCTKMT2AMAPK1
SCHEMBL6977516 0.82 PGR (0.58) TSHRGAAQPCTKMT2AMAPK1
SCHEMBL6971541 0.82 QPCT (0.51) TSHRGAAQPCTKMT2AALDH1A1
SCHEMBL6980747 0.82 TSHR (0.48) TSHRGAAQPCTKMT2AMAPK1
SCHEMBL6976772 0.80 QPCT (0.51) TSHRGAAQPCTKMT2AMAPK1

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 3090/4885GAA 638/4885JAK2 1666/4885

“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.