SCHEMBL8777914

SCHEMBL8777914

Clc1cccc(Cc2cccc(-c3ncc4ccccc4n3)n2)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
PDE5A O76074 1/20 0.39
APP P05067 2/20 0.38
CYP1A2 P05177 3/20 0.36
MAPT P10636 1/20 0.36
MEN1 O00255 1/20 0.36
MAOB P27338 1/20 0.36
KMT2A Q03164 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
HRH4 Q9H3N8 1/20 0.35
CSNK1D P48730 1/20 0.35
PTK2 Q05397 1/20 0.35
ADCY10 Q96PN6 1/20 0.34

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
SCHEMBL8778144 0.87 USP1 (0.39) PDE5ACYP1A2MAPTPTK2
SCHEMBL3787262 0.87 CYP1A2 (0.40) PDE5ACYP1A2MEN1KMT2A
SCHEMBL29368748 0.87 CYP1A2 (0.40) PDE5ACYP1A2MEN1KMT2A
SCHEMBL8778217 0.86 USP1 (0.41) CYP1A2MEN1KMT2A
SCHEMBL8778044 0.85 CYP2C19 (0.38) KDM4EHPGDCYP1A2MAPTMEN1
SCHEMBL8778211 0.84 CYP1A2 (0.38) CYP1A2MAPT
SCHEMBL8778306 0.84 SMN1; SMN2 (0.46) KDM4ECYP1A2MAPTMEN1KMT2A
SCHEMBL8777799 0.84 PTGER1 (0.39) CYP1A2MAPTMEN1KMT2A
SCHEMBL8778292 0.83 CYP1A2 (0.34) KDM4ECYP1A2MAPTMEN1KMT2A
SCHEMBL8515683 0.82 KMT2A (0.38) KDM4ECYP1A2MAPTMAOBKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KDM4E 1794/4885HPGD 1679/4885PDE5A 297/4885

“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.