SCHEMBL2340433

SCHEMBL2340433

O=c1nc(-c2cc(OCC(F)(F)F)ccn2)[nH]o1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
SYK P43405 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP2C9 P11712 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP17A1 P05093 1/20 0.33
CYP2C19 P33261 1/20 0.33
ATP4A P20648 2/20 0.33
ATP4B P51164 2/20 0.33
ABL1 P00519 1/20 0.33
ATP1A1 P05023 1/20 0.33
ATP1B1 P05026 1/20 0.33
ATP1A3 P13637 1/20 0.33
ATP1B2 P14415 1/20 0.33
ATP1A2 P50993 1/20 0.33
ATP1B3 P54709 1/20 0.33
FXYD2 P54710 1/20 0.33
ATP1A4 Q13733 1/20 0.33
RAF1 P04049 1/20 0.33

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
SCHEMBL2332594 0.90 CBFB (0.30) RAF1
SCHEMBL1935073 0.82 LNPEP (0.42) KDM4E
SCHEMBL2337221 0.81 ALDH1A1 (0.38) ALDH1A1MAPTCYP2C9CYP1A2CYP17A1
SCHEMBL2336511 0.80 KRAS (0.35)
SCHEMBL1935082 0.80 RAF1 (0.46) ALDH1A1MAPTKDM4ERAF1POLB
SCHEMBL2338600 0.80 NOS3 (0.40) SYK
SCHEMBL2337284 0.79 SYK (0.40) SYKRAF1
SCHEMBL1935176 0.79 LTA4H (0.36) RAF1
SCHEMBL603190 0.78 L3MBTL1 (0.33) ALDH1A1MAPTKDM4ECYP1A2
SCHEMBL2340435 0.77 ALDH1A1 (0.42) ALDH1A1MAPTSYKKDM4ECYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318776-B2 Pyridine compound, pesticidal composition and method of controlling pests SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-11-27 US disclosed
EP-2215086-B1 PYRIDINE COMPOUND, PESTICIDAL COMPOSITION AND METHOD OF CONTROLLING PEST SUMITOMO CHEMICAL CO (JP) 2011-08-24 EP disclosed
US-20100286148-A1 PYRIDINE COMPOUND, PESTICIDAL COMPOSITION AND METHOD OF CONTROLLING PEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-11-11 US disclosed
EP-2215086-A1 PYRIDINE COMPOUND, PESTICIDAL COMPOSITION AND METHOD OF CONTROLLING PEST Sumitomo Chemical Company, Limited (JP) 2010-08-11 EP disclosed
WO-2009066786-A1 PYRIDINE COMPOUND, PESTICIDAL COMPOSITION AND METHOD OF CONTROLLING PEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-05-28 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-20100286148-A1 PYRIDINE COMPOUND, PESTICIDAL COMPOSITION AND METHOD OF CONTROLLING PEST C5, PRDX1, PLPBP ALDH1A1 2627/4885MAPT 4441/4885SYK 1356/4885

“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.