SCHEMBL8778735

SCHEMBL8778735

BrC(Br)c1cccc(-c2ncc3ccccc3n2)n1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.42
KDM4E B2RXH2 1/20 0.33
GPR3 P46089 1/20 0.33
EGFR P00533 1/20 0.33
HTR3A P46098 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
NPC1 O15118 2/20 0.31
MAPT P10636 2/20 0.31
LMNA P02545 1/20 0.31
RECQL P46063 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
HPGD P15428 1/20 0.31
ACHE P22303 1/20 0.31

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
SCHEMBL3788203 0.79 CYP1A2 (0.45) CYP1A2KDM4EGPR3EGFRHTR3A
SCHEMBL8778674 0.76 CCR1 (0.50) CYP1A2
SCHEMBL3787346 0.76 CYP1A2 (0.45) CYP1A2KDM4EGPR3EGFRHTR3A
SCHEMBL3784385 0.76 RAB9A (0.55) CYP1A2NPC1MAPTLMNARECQL
SCHEMBL9290480 0.76 HRH1 (0.39) CYP1A2KDM4EMAPTLMNASMN1; SMN2
SCHEMBL8778786 0.75 CYP1A2 (0.42) CYP1A2KDM4EGPR3EGFRHTR3A
SCHEMBL8778880 0.75 IDH1 (0.47) CYP1A2
SCHEMBL28091206 0.74 CYP1A2 (0.50) CYP1A2KDM4EGPR3EGFRNPC1
SCHEMBL8775521 0.74 CYP1A2 (0.44) CYP1A2KDM4EGPR3EGFRNPC1
SCHEMBL30527184 0.73 CYP1A2 (0.60) CYP1A2KDM4EGPR3EGFRHTR3A

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 18/4885KDM4E 1794/4885GPR3 3610/4885

“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.