SCHEMBL8778586

SCHEMBL8778586

COc1cc(C(F)(F)F)ccc1OCC#Cc1nc(-c2ncc3ccccc3n2)ccc1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.37
KMT2A Q03164 2/20 0.35
PPP1CA P62136 1/20 0.35
EGFR P00533 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
DHODH Q02127 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 2/20 0.32
MAPT P10636 2/20 0.32
TP53 P04637 1/20 0.32
DHFR P00374 3/20 0.32
LCK P06239 1/20 0.31
KDR P35968 1/20 0.31
TEK Q02763 1/20 0.31
P2RX7 Q99572 1/20 0.31
PDE5A O76074 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
SCHEMBL8778526 0.80 CYP1A2 (0.36) EGFR
SCHEMBL8778609 0.77 L3MBTL1 (0.38) KMT2APPP1CAABCG2KDM4EALDH1A1
SCHEMBL8778593 0.77 LCK (0.36) LCKKDRTEK
SCHEMBL8778475 0.71 GRM5 (0.44) SMN1; SMN2MAPT
SCHEMBL8778498 0.71 USP1 (0.34) ALDH1A1LCKKDRTEK
SCHEMBL8778578 0.71 NPC1 (0.35) KMT2AKDM4EALDH1A1NPC1RAB9A
SCHEMBL8778441 0.70 CYP1A2 (0.38) NPC1
SCHEMBL8778435 0.70 NPC1 (0.41) PPP1CAKDM4EALDH1A1NPC1RAB9A
SCHEMBL8778453 0.69 GRM5 (0.46)
SCHEMBL8766869 0.69 CYP1A2 (0.39) KMT2AEGFRKDM4EALDH1A1NPC1

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 ALPL 2838/4885KMT2A 2145/4885PPP1CA 264/4885

“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.