SCHEMBL3335430

SCHEMBL3335430

c1coc(CNc2ncc3ccccc3n2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 1/20 0.52
SMN1; SMN2 Q16637 6/20 0.52
KMT2A Q03164 6/20 0.52
RAB9A P51151 2/20 0.52
NPC1 O15118 1/20 0.52
MAPK1 P28482 7/20 0.52
MAPT P10636 7/20 0.52
NPSR1 Q6W5P4 5/20 0.52
KDM4E B2RXH2 5/20 0.52
HTT P42858 4/20 0.51
USP2 O75604 1/20 0.51
HIF1A Q16665 1/20 0.51
TP53 P04637 1/20 0.49
HSD17B10 Q99714 1/20 0.49
PDE5A O76074 1/20 0.49
REN P00797 1/20 0.49
ALDH1A1 P00352 6/20 0.48
MEN1 O00255 1/20 0.48
POLB P06746 1/20 0.48
LMNA P02545 4/20 0.47

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
SCHEMBL16248323 0.77 SMN1; SMN2 (0.54) KCNH3SMN1; SMN2KMT2ARAB9ANPC1
SCHEMBL27857007 0.76 RAD52 (0.56) KMT2AMAPTNPSR1KDM4EALDH1A1
SCHEMBL22191568 0.76 KCNH3 (0.51) KCNH3SMN1; SMN2KMT2ARAB9AMAPK1
SCHEMBL15690 0.75 SMN1; SMN2 (0.49) KCNH3SMN1; SMN2KMT2ARAB9ANPC1
SCHEMBL28127871 0.75 MAPT (0.39) SMN1; SMN2KMT2ARAB9ANPC1MAPK1
SCHEMBL655021 0.75 MAPT (0.52) KCNH3SMN1; SMN2KMT2ARAB9AMAPK1
SCHEMBL30455311 0.75 MAPT (0.81) SMN1; SMN2KMT2AMAPK1MAPTNPSR1
SCHEMBL27857085 0.74 PCSK9 (0.55) SMN1; SMN2KMT2ARAB9ANPC1MAPK1
SCHEMBL11183839 0.74 KCNH3 (0.47) KCNH3SMN1; SMN2KMT2ARAB9AMAPK1
SCHEMBL27873803 0.73 KCNH3 (0.51) KCNH3SMN1; SMN2KMT2ARAB9AMAPT

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-8673929-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives and pharmaceutical compositions useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-03-18 US disclosed
US-20100143299-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2010-06-10 US 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-20100143299-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING VIRAL INFECTIONS OPRD1, IFNAR1, NR4A1 KCNH3 644/4885SMN1; SMN2 3749/4885KMT2A 3824/4885

“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.