SCHEMBL6980977

SCHEMBL6980977

O=c1[nH]c2ccccc2c(=O)n1Cc1cccnc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.79
MAPK10 P53779 1/20 0.79
KDM4E B2RXH2 3/20 0.71
ALDH1A1 P00352 3/20 0.71
HPGD P15428 3/20 0.71
SMN1; SMN2 Q16637 1/20 0.71
ALOX5 P09917 1/20 0.65
KMT2A Q03164 3/20 0.60
CYP1A2 P05177 2/20 0.60
MEN1 O00255 2/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.59
OPRM1 P35372 1/20 0.57
OPRD1 P41143 1/20 0.57
TSHR P16473 1/20 0.54
QPCT Q16769 1/20 0.50
HDAC1 Q13547 1/20 0.49

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
SCHEMBL18708212 0.88 PKM (1.00) PKMMAPK10KDM4EALDH1A1HPGD
SCHEMBL30877025 0.84 HPGD (1.00) PKMMAPK10KDM4EALDH1A1HPGD
SCHEMBL6982894 0.84 HPGD (1.00) PKMMAPK10KDM4EALDH1A1HPGD
SCHEMBL10084713 0.83 PKM (0.60) PKMMAPK10KDM4EALDH1A1HPGD
SCHEMBL30345117 0.83 LMNA (0.62) PKMMAPK10KDM4EALDH1A1HPGD
SCHEMBL4915023 0.83 LMNA (0.62) PKMMAPK10KDM4EALDH1A1HPGD
SCHEMBL31359093 0.80 ALDH1A1 (0.61) PKMMAPK10KDM4EALDH1A1HPGD
SCHEMBL9596545 0.79 ALOX5 (1.00) PKMMAPK10KDM4EALOX5L3MBTL1
SCHEMBL17824929 0.77 ALDH1A1 (0.66) PKMMAPK10KDM4EALDH1A1HPGD
SCHEMBL3419641 0.77 PKM (0.58) PKMMAPK10ALDH1A1ALOX5KMT2A

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 4 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
US-6407116-B1 2,4-DIOXO-1,2,3,4-TETRAHYDROQUINAZOLINE DERIVATIVES; ANTIALLERGENS, ANTIASTHMATICS, ANTIHISTAMINES, AND ANTIINFLAMMATORY AGENTS TAKEDA CHEMICAL INDUSTRIES, INC. (JP) 2002-06-18 US disclosed
EP-1026160-A1 NITROGENOUS FUSED-RING COMPOUNDS, PROCESS FOR THE PREPARATION OF THE SAME, AND DRUGS Takeda Chemical Industries, Ltd. (JP) 2000-08-09 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 PKM 2525/4885MAPK10 2573/4885KDM4E 4217/4885

“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.