SCHEMBL16906745

SCHEMBL16906745

NC(=O)c1ccc(-c2ccn(-c3ccc(OC(F)(F)F)cc3)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.51
BCR P11274 2/20 0.51
MAPKAPK2 P49137 2/20 0.45
MAPT P10636 3/20 0.44
MAPK1 P28482 3/20 0.44
KDM4E B2RXH2 2/20 0.44
GAA P10253 1/20 0.44
RECQL P46063 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
CCNA1 P78396 1/20 0.42
CHEK2 O96017 1/20 0.41
SCN5A Q14524 2/20 0.41
SCN4A P35499 1/20 0.41
CYP1A2 P05177 1/20 0.41
DYRK1A Q13627 1/20 0.41
ADORA3 P0DMS8 1/20 0.40
SCN9A Q15858 1/20 0.40
MKNK1 Q9BUB5 1/20 0.40

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
SCHEMBL181851 0.89 GCGR (0.47) MAPTMAPK1KDM4EGAARECQL
SCHEMBL17125357 0.88 ADORA3 (0.46) ABL1MAPTMAPK1KDM4EGAA
SCHEMBL17125404 0.84 SCN5A (0.44) MAPTMAPK1KDM4EGAARECQL
SCHEMBL14576131 0.83 NPC1 (0.40) ABL1BCRMAPTMAPK1KDM4E
SCHEMBL19121067 0.80 SCN5A (0.47) MAPTMAPK1KDM4EGAARECQL
SCHEMBL17125341 0.80 DYRK1A (0.45) ABL1BCRMAPTMAPK1KDM4E
SCHEMBL182081 0.79 MRGPRX4 (0.49) ABL1BCRMAPTMAPK1KDM4E
SCHEMBL8297933 0.78 ABL1 (0.56) ABL1BCRCHEK2
SCHEMBL182599 0.78 MRGPRX4 (0.48) ABL1GAASCN5ASCN9A
SCHEMBL324161 0.77 PARP10 (0.59) ABL1BCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2731430-B1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2019-04-03 EP disclosed
US-20150196033-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (IN) 2015-07-16 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 (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-20150196033-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, CAT ABL1 3535/4885BCR 1903/4885MAPKAPK2 3238/4885

“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.