SCHEMBL8779396

SCHEMBL8779396

Cc1ccc2cnc(-c3ccc(C)c(-c4ccccc4)n3)nc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ RAB9A P51151 3/20 0.40
▸ POLB P06746 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ PDE10A Q9Y233 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ NPC1 O15118 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ PDGFRB P09619 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ FLT3 P36888 1/20 0.38
▸ ADORA1 P30542 2/20 0.37
▸ ADORA3 P0DMS8 1/20 0.37
▸ ADORA2A P29274 1/20 0.37

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
SCHEMBL3789195 0.90 KDM4E (0.47) KDM4EALDH1A1L3MBTL1RAB9APOLB
SCHEMBL8779228 0.87 L3MBTL1 (0.40) KDM4EALDH1A1L3MBTL1RAB9APOLB
SCHEMBL8776938 0.86 PDE10A (0.51) KDM4EALDH1A1L3MBTL1RAB9APOLB
SCHEMBL8777140 0.84 CYP1A2 (0.50) KDM4EALDH1A1RAB9APOLBMAPT
SCHEMBL8776881 0.84 CYP1A2 (0.50) KDM4EALDH1A1L3MBTL1RAB9APOLB
SCHEMBL8776966 0.83 PDE10A (0.46) RAB9AMAPTMEN1KMT2APDE10A
SCHEMBL17689696 0.81 NPC1 (0.51) KDM4EALDH1A1L3MBTL1RAB9APOLB
SCHEMBL8777303 0.81 PDE10A (0.46) KDM4EALDH1A1RAB9APOLBMAPT
SCHEMBL3788033 0.80 CYP1A2 (0.46) PDE10ATDP1NPC1ADORA1ADORA2A
SCHEMBL8779034 0.80 KMT2A (0.44) KDM4EALDH1A1L3MBTL1RAB9APOLB

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 KDM4E 1794/4885ALDH1A1 1125/4885L3MBTL1 3069/4885

“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.

Send feedback