SCHEMBL3787346

SCHEMBL3787346

Clc1cccc(-c2ncc3ccccc3n2)n1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.45
METAP1 P53582 1/20 0.38
IDH1 O75874 8/20 0.37
TGFBR1 P36897 1/20 0.36
IDH2 P48735 5/20 0.36
KDM4E B2RXH2 1/20 0.36
GPR3 P46089 1/20 0.36
EGFR P00533 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HTR3A P46098 1/20 0.34
HRH4 Q9H3N8 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
SCHEMBL8775144 0.81 CYP1A2 (0.44) CYP1A2KDM4ESMN1; SMN2MEN1CYP2C9
SCHEMBL8775312 0.81 RAB9A (0.51) CYP1A2KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL8778674 0.79 CCR1 (0.50) CYP1A2TGFBR1
SCHEMBL3788203 0.79 CYP1A2 (0.45) CYP1A2METAP1TGFBR1KDM4EGPR3
SCHEMBL3784385 0.79 RAB9A (0.55) CYP1A2SMN1; SMN2MEN1CYP2C9CYP2C19
SCHEMBL8775758 0.79 GRM5 (0.43) CYP1A2KDM4ESMN1; SMN2MEN1CYP2C9
SCHEMBL28091206 0.78 CYP1A2 (0.50) CYP1A2KDM4EGPR3EGFRSMN1; SMN2
SCHEMBL8775991 0.77 CYP1A2 (0.43) CYP1A2KDM4ESMN1; SMN2CYP2C19NPSR1
SCHEMBL30198446 0.77 CYP1A2 (0.60) CYP1A2KDM4EGPR3EGFRSMN1; SMN2
SCHEMBL1672650 0.77 CYP1A2 (0.60) CYP1A2KDM4EGPR3EGFRSMN1; SMN2

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 7 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
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
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
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 18/4885METAP1 734/4885IDH1 613/4885

“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.