SCHEMBL8775074

SCHEMBL8775074

c1cc(-c2ncc3ccccc3n2)nc(-c2cccc3ccccc23)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.53
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 5/20 0.41
MAPT P10636 4/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPK1 P28482 3/20 0.41
HSD17B10 Q99714 3/20 0.41
NPC1 O15118 2/20 0.41
TP53 P04637 2/20 0.41
GPR3 P46089 1/20 0.41
LMNA P02545 1/20 0.41
RECQL P46063 1/20 0.41
RAB9A P51151 1/20 0.41
HTR2C P28335 2/20 0.37
NOS1 P29475 1/20 0.36
MAPK3 P27361 1/20 0.36
PTPN11 Q06124 1/20 0.36

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
SCHEMBL8775144 0.86 CYP1A2 (0.44) CYP1A2MEN1KMT2AKDM4EMAPT
SCHEMBL8776142 0.85 CYP1A2 (0.48) CYP1A2MEN1KMT2AKDM4EMAPT
SCHEMBL28183808 0.85 CYP1A2 (0.70) CYP1A2MEN1KMT2AKDM4EMAPT
SCHEMBL8776279 0.85 CYP1A2 (0.50) CYP1A2MEN1KMT2AKDM4EMAPT
SCHEMBL8776344 0.83 CYP1A2 (0.44) CYP1A2MEN1KMT2AKDM4EMAPT
SCHEMBL8775521 0.83 CYP1A2 (0.44) CYP1A2KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL8775659 0.83 NPC1 (0.52) CYP1A2MAPTALDH1A1MAPK1NPC1
SCHEMBL8776067 0.83 CYP1A2 (0.44) CYP1A2MEN1KMT2AKDM4EMAPT
SCHEMBL8775242 0.83 CYP1A2 (0.45) CYP1A2MEN1KMT2AKDM4EMAPT
SCHEMBL8775741 0.83 CYP1A2 (0.44) CYP1A2MEN1KMT2AMAPTALDH1A1

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
WO-2012069652-A2 FUNGICIDE MIXTURES SYNGENTA PARTICIPATIONS AG (CH) 2012-05-31 WO disclosed
US-20120129875-A1 SUBSTITUTED QUINAZOLINES AS FUNGICIDES SYNGENTA CROP PROTECTION, LLC (US) 2012-05-24 US disclosed
US-20120129875-A1 SUBSTITUTED QUINAZOLINES AS FUNGICIDES SYNGENTA CROP PROTECTION, LLC (US) 2012-05-24 US disclosed
WO-2010136475-A1 SUBSTITUTED QUINAZOLINES AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2010-12-02 WO 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-20120129875-A1 SUBSTITUTED QUINAZOLINES AS FUNGICIDES NAT1, NQO2, NOX1 CYP1A2 18/4885MEN1 571/4885KMT2A 2145/4885

“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.