SCHEMBL8778467

SCHEMBL8778467

Cc1ccc(-c2ncc3ccccc3n2)nc1C#Cc1ccc(Cl)cc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.37
CYP1A2 P05177 3/20 0.36
ADK P55263 2/20 0.34
FFAR1 O14842 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
PPP1CA P62136 1/20 0.32
TTR P02766 1/20 0.32
ABL1 P00519 1/20 0.32
BCR P11274 1/20 0.32
KCNH2 Q12809 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
SCHEMBL8778436 0.90 CYP1A2 (0.37) GRM5CYP1A2FFAR1SMN1; SMN2NPC1
SCHEMBL8766869 0.90 CYP1A2 (0.39) GRM5CYP1A2SMN1; SMN2NPC1RAB9A
SCHEMBL8778539 0.88 GRM5 (0.37) GRM5CYP1A2SMN1; SMN2LMNAMAPT
SCHEMBL8778503 0.87 GRM5 (0.41) GRM5CYP1A2MAPTPPP1CAABL1
SCHEMBL8778435 0.86 NPC1 (0.41) CYP1A2SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL8778593 0.85 LCK (0.36) GRM5CYP1A2
SCHEMBL8778494 0.83 GRM5 (0.39) GRM5CYP1A2ABL1BCRKCNH2
SCHEMBL8778578 0.81 NPC1 (0.35) GRM5CYP1A2SMN1; SMN2NPC1RAB9A
SCHEMBL8778453 0.81 GRM5 (0.46) GRM5CYP1A2
SCHEMBL8778441 0.79 CYP1A2 (0.38) CYP1A2NPC1

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
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
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 GRM5 2204/4885CYP1A2 18/4885ADK 2846/4885

“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.