SCHEMBL8909679

SCHEMBL8909679

Fc1ccc(Nc2nc(NCc3cccnc3)nc(N/N=C/c3ccc(OC(F)(F)F)cc3)n2)cc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.44
CYP2C9 P11712 5/20 0.44
CYP2C19 P33261 5/20 0.44
VNN1 O95497 1/20 0.43
DDX3X O00571 1/20 0.43
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
MAPT P10636 5/20 0.42
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPSR1 Q6W5P4 3/20 0.41
HTT P42858 2/20 0.41
PABPC1 P11940 1/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP2D6 P10635 3/20 0.40
CYP1A2 P05177 2/20 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
SCHEMBL8908858 0.93 MAPT (0.39) CYP3A4CYP2C9CYP2C19VNN1DDX3X
SCHEMBL8909735 0.91 DDX3X (0.43) VNN1DDX3XMEN1KMT2AMAPT
SCHEMBL8909037 0.88 MEN1 (0.40) VNN1DDX3XMEN1KMT2AMAPT
SCHEMBL606991 0.87 MEN1 (0.40) VNN1DDX3XMEN1KMT2AMAPT
SCHEMBL8908432 0.87 MEN1 (0.40) VNN1DDX3XMEN1KMT2AMAPT
SCHEMBL606990 0.87 MEN1 (0.40) VNN1DDX3XMEN1KMT2AMAPT
SCHEMBL8909607 0.86 MAPT (0.46) VNN1DDX3XMEN1KMT2AMAPT
SCHEMBL8908463 0.83 CHRNA7 (0.48) DDX3XMEN1KMT2AGAACA12
SCHEMBL8908941 0.83 ALDH1A1 (0.43) CYP3A4CYP2C9CYP2C19DDX3XMEN1
SCHEMBL416612 0.81 MEN1 (0.44) DDX3XMEN1KMT2AMAPTALDH1A1

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
US-8188273-B2 Insecticidal (1,3,5)-triazinyl phenyl hydrazones DOW AGROSCIENCES, LLC. (US) 2012-05-29 US disclosed
US-8188273-B2 Insecticidal (1,3,5)-triazinyl phenyl hydrazones DOW AGROSCIENCES, LLC. (US) 2012-05-29 US disclosed
US-20120040837-A1 INSECTICIDAL (1,3,5)-TRIAZINYL PHENYL HYDRAZONES DOW AGROSCIENCES LLC (US) 2012-02-16 US disclosed
US-20120040837-A1 INSECTICIDAL (1,3,5)-TRIAZINYL PHENYL HYDRAZONES DOW AGROSCIENCES LLC (US) 2012-02-16 US disclosed
US-8067588-B2 Insecticidal (1,3,5)-triazinyl phenyl hydrazones DOW AGROSCIENCES LLC (US) 2011-11-29 US disclosed
US-8067588-B2 Insecticidal (1,3,5)-triazinyl phenyl hydrazones DOW AGROSCIENCES LLC (US) 2011-11-29 US disclosed
US-20090093481-A1 INSECTICIDAL (1,3,5)-TRIAZINYL PHENYL HYDRAZONES DOW AGROSCIENCES LLC (US) 2009-04-09 US disclosed
US-20090093481-A1 INSECTICIDAL (1,3,5)-TRIAZINYL PHENYL HYDRAZONES DOW AGROSCIENCES LLC (US) 2009-04-09 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 (2 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-20090093481-A1 INSECTICIDAL (1,3,5)-TRIAZINYL PHENYL HYDRAZONES HELZ, API5, CRYZ CYP3A4 692/4885CYP2C9 1291/4885CYP2C19 2273/4885
US-20120040837-A1 INSECTICIDAL (1,3,5)-TRIAZINYL PHENYL HYDRAZONES HELZ, API5, CRYZ CYP3A4 692/4885CYP2C9 1291/4885CYP2C19 2273/4885

“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.