SCHEMBL8778609

SCHEMBL8778609

Cc1ccc(-c2ncc3ccccc3n2)nc1C#CCCCOc1cccc(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
PPP1CA P62136 1/20 0.37
KMT2A Q03164 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
LCK P06239 2/20 0.34
KDR P35968 2/20 0.34
TEK Q02763 2/20 0.34
MCL1 Q07820 1/20 0.33
BRAF P15056 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL8883610 0.83 L3MBTL1 (0.41) L3MBTL1PPP1CAKMT2AABCG2KDM4E
SCHEMBL8778586 0.77 ALPL (0.37) PPP1CAKMT2AABCG2KDM4EALDH1A1
SCHEMBL8778593 0.75 LCK (0.36) LCKKDRTEKBRAF
SCHEMBL8778526 0.74 CYP1A2 (0.36)
SCHEMBL8776643 0.72 KDM4E (0.42) ABCG2KDM4EALDH1A1BRAF
SCHEMBL8778475 0.71 GRM5 (0.44) HTT
SCHEMBL8871754 0.71 GPR52 (0.42) LCKKDRTEKBRAF
SCHEMBL8778498 0.71 USP1 (0.34) ALDH1A1LCKKDRTEK
SCHEMBL8778441 0.70 CYP1A2 (0.38)
SCHEMBL8778578 0.69 NPC1 (0.35) L3MBTL1KMT2AKDM4EALDH1A1

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 L3MBTL1 3069/4885PPP1CA 264/4885KMT2A 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.