SCHEMBL8778460

SCHEMBL8778460

Cc1ccc(-c2ncc3ccccc3n2)nc1Cc1cccc(Cl)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.36
CYP1A2 P05177 5/20 0.34
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
PNMT P11086 1/20 0.31
P2RX7 Q99572 3/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CARM1 Q86X55 1/20 0.31
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30
HSD17B10 Q99714 1/20 0.30
SLC22A12 Q96S37 1/20 0.30
MAPT P10636 1/20 0.30
AR P10275 1/20 0.30

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
SCHEMBL8778454 0.92 CYP1A2 (0.36) CYP1A2KMT2AMEN1CYP2C9CYP2C19
SCHEMBL8778287 0.87 CYP1A2 (0.36) CYP1A2KMT2AMEN1CYP2C9CYP2C19
SCHEMBL8778361 0.86 CYP1A2 (0.39) CYP1A2KMT2AMEN1CYP2C9CYP2C19
SCHEMBL8778324 0.85 CYP1A2 (0.40) CYP1A2CYP2C9CYP2C19ALDH1A1CYP3A4
SCHEMBL8778378 0.83 CYP1A2 (0.34) CYP1A2KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL3781985 0.83 AR (0.36) CYP1A2AR
SCHEMBL8778331 0.82 RXFP1 (0.37) CYP1A2KMT2AMEN1ALDH1A1MAPT
SCHEMBL8778396 0.81 LMNA (0.38) CYP1A2KMT2AMEN1CYP2C19SMN1; SMN2
SCHEMBL8778433 0.80 CYP1A2 (0.36) CYP1A2KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL8778423 0.80 LMNA (0.41) CYP1A2SMN1; SMN2NPSR1MAPT

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 PTPN11 140/4885CYP1A2 18/4885KMT2A 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.