SCHEMBL8776589

SCHEMBL8776589

Cc1ccc(-c2ncc3ccccc3n2)nc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 2/20 0.41
DPP4 P27487 4/20 0.40
CYP3A4 P08684 3/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
MAPT P10636 1/20 0.39
MCOLN3 Q8TDD5 1/20 0.39
ROS1 P08922 2/20 0.38
GUSB P08236 1/20 0.38
GRM5 P41594 1/20 0.37
HSP90AB1 P08238 2/20 0.37
CYP1A2 P05177 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPK1 P28482 1/20 0.36
HSP90AA1 P07900 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
SCHEMBL8776700 0.92 CRHR1 (0.41) CRHR1MAPTGRM5HSP90AB1CYP1A2
SCHEMBL8776737 0.91 PDE10A (0.37) CRHR1MAPTCYP1A2LMNAKDM4E
SCHEMBL8776925 0.90 CYP1A2 (0.38) CRHR1MAPTCYP1A2LMNAKDM4E
SCHEMBL8776689 0.88 ALDH1A1 (0.43) CRHR1CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL8776807 0.87 MBNL1 (0.44) CYP3A4CYP1A2
SCHEMBL8777294 0.85 HSD11B1 (0.37) GRM5CYP1A2KDM4E
SCHEMBL8777029 0.84 L3MBTL1 (0.43) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL8776930 0.83 CYP1A2 (0.48) CRHR1MAPTCYP1A2NPSR1LMNA
SCHEMBL8776621 0.82 CYP1A2 (0.37) GRM5CYP1A2KDM4EMAPK1
SCHEMBL8777123 0.82 PDE10A (0.44) DPP4CYP1A2

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 CRHR1 4664/4885DPP4 999/4885CYP3A4 22/4885

“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.