SCHEMBL2332728

SCHEMBL2332728

CC(c1ccnc(C#N)c1)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 3/20 0.39
PANK3 Q9H999 1/20 0.35
MYC P01106 1/20 0.35
SCN10A Q9Y5Y9 3/20 0.34
HDAC4 P56524 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
AAK1 Q2M2I8 1/20 0.33
XDH P47989 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
IDH2 P48735 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
NPY5R Q15761 1/20 0.32
AR P10275 1/20 0.32
TGFBR1 P36897 1/20 0.32
KDR P35968 1/20 0.32

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
SCHEMBL84498 0.80 MYC (0.39) IDH1PANK3MYCAAK1XDH
SCHEMBL17138377 0.80 MYC (0.39) IDH1MYCHDAC4HDAC6AAK1
SCHEMBL2338500 0.80 MYC (0.38) IDH1MYCSCN10AHDAC4HDAC6
SCHEMBL2331950 0.80 IDH1 (0.35) IDH1MYCSCN10AHDAC4HDAC6
SCHEMBL24780050 0.77 MYC (0.41) IDH1PANK3MYCHDAC4HDAC6
SCHEMBL17000215 0.77 MYC (0.37) IDH1MYCAAK1XDHABCG2
SCHEMBL28803092 0.77 MYC (0.41) IDH1MYCAAK1XDHABCG2
SCHEMBL26916924 0.77 MYC (0.41) IDH1MYCAAK1XDHABCG2
SCHEMBL26916928 0.77 MYC (0.41) IDH1MYCAAK1XDHABCG2
Hydrochloric Acid SCHEMBL28802967 0.76 AAK1 (0.40) IDH1MYCAAK1XDHABCG2

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 11 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
US-8318776-B2 Pyridine compound, pesticidal composition and method of controlling pests SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-11-27 US disclosed
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
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
US-20100286148-A1 PYRIDINE COMPOUND, PESTICIDAL COMPOSITION AND METHOD OF CONTROLLING PEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-11-11 US 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
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 IDH1 575/4885PANK3 233/4885MYC 4314/4885

“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.