SCHEMBL3449189

SCHEMBL3449189

CCc1c(C(F)(F)F)cnc(N)c1N

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 3/20 0.36
PIK3CA P42336 3/20 0.35
NOS3 P29474 1/20 0.35
NOS2 P35228 1/20 0.35
USP7 Q93009 6/20 0.34
MAP3K12 Q12852 4/20 0.33
AURKA O14965 1/20 0.32
KDR P35968 1/20 0.32
AURKB Q96GD4 1/20 0.32
DDR1 Q08345 1/20 0.32
MTOR P42345 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
SCHEMBL15412486 0.86 NOS2 (0.39) MBOAT4PIK3CANOS2USP7MAP3K12
SCHEMBL15863024 0.81 MBOAT4 (0.34) MBOAT4PIK3CAMAP3K12MTOR
SCHEMBL25840263 0.76 KDM4E (0.34) MBOAT4NOS3NOS2
SCHEMBL8804672 0.75 KIF11 (0.36) DDR1
SCHEMBL29435785 0.75 MBOAT4 (0.36) MBOAT4PIK3CANOS3NOS2USP7
SCHEMBL9276814 0.75 MBOAT4 (0.36) MBOAT4PIK3CANOS3NOS2USP7
SCHEMBL10268251 0.74 MTOR (0.40) PIK3CANOS3NOS2MAP3K12DDR1
SCHEMBL11716876 0.74 USP7 (0.42) NOS3NOS2USP7
Ammonia Solution, Strong SCHEMBL16280437 0.73 MBOAT4 (0.35) MBOAT4PIK3CANOS3NOS2MAP3K12
SCHEMBL6997914 0.72 DHFR (0.45) NOS3NOS2USP7

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3006429-B1 FUSED HETEROCYCLIC COMPOUND AND USE FOR PEST CONTROL THEREOF SUMITOMO CHEMICAL CO (JP) 2019-02-06 EP disclosed
EP-2655337-B1 FUSED HETEROCYCLIC COMPOUND AND USE FOR PEST CONTROL THEREOF SUMITOMO CHEMICAL CO (JP) 2016-11-23 EP disclosed
EP-3006429-A1 FUSED HETEROCYCLIC COMPOUND AND USE FOR PEST CONTROL THEREOF SUMITOMO CHEMICAL CO., LTD. (JP) 2016-04-13 EP disclosed
US-9278983-B2 Fused heterocyclic compound and use thereof for pest control SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-03-08 US disclosed
US-20140364444-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-12-11 US disclosed
US-8853238-B2 Fused heterocyclic compound and use thereof for pest control SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-10-07 US disclosed
US-20140018373-A1 FUSED HETEROCYCLIC COMPOUND AND USE FOR PEST CONTROL THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-01-16 US disclosed
US-20100029643-A1 HETEROCYCLYC SULFONAMIDES HAVING EDG-1 ANTAGONISTIC ACTIVITY ASTRAZENECA AB (SE) 2010-02-04 US 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 (3 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-20140018373-A1 FUSED HETEROCYCLIC COMPOUND AND USE FOR PEST CONTROL THEREOF NR4A1, NR2C2, NR0B1 MBOAT4 3730/4885PIK3CA 4291/4885NOS3 834/4885
US-20100029643-A1 HETEROCYCLYC SULFONAMIDES HAVING EDG-1 ANTAGONISTIC ACTIVITY EDF1, ERLIN1, ECE1 MBOAT4 4858/4885PIK3CA 3680/4885NOS3 1565/4885
US-20140364444-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF FOR PEST CONTROL NR4A1, NR2C2, NR0B1 MBOAT4 3664/4885PIK3CA 4183/4885NOS3 755/4885

“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.