SCHEMBL3311645

SCHEMBL3311645

Cc1ccc(-c2c(C)nnc(C#N)c2-c2c(F)cc(F)cc2F)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 2/20 0.37
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
GAA P10253 1/20 0.34
AR P10275 2/20 0.33
MAPT P10636 2/20 0.32
USP8 P40818 1/20 0.32
USP7 Q93009 1/20 0.32
MGAT2 Q10469 3/20 0.31
RAPGEF4 Q8WZA2 1/20 0.31
KDM4E B2RXH2 2/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30
HSD17B10 Q99714 1/20 0.30
PDE9A O76083 1/20 0.30

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
SCHEMBL3303729 0.89 AR (0.36) ERBB2CYP11B1CYP11B2GAAAR
SCHEMBL10015880 0.89 CHEK1 (0.39) CYP11B1CYP11B2KDM4ENPC1ALDH1A1
SCHEMBL3966184 0.85 RAPGEF4 (0.38) CYP11B1CYP11B2MAPTRAPGEF4KDM4E
SCHEMBL3311229 0.81 RAPGEF4 (0.35) CYP11B1CYP11B2RAPGEF4NPC1RAB9A
SCHEMBL3311654 0.79 PTGES (0.39) ERBB2GAAARMAPTKDM4E
SCHEMBL1873945 0.78 KMT2A (0.34) MAPTRAPGEF4KDM4ENPC1ALDH1A1
SCHEMBL29355159 0.77 CHEK1 (0.41) ERBB2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL10015938 0.77 CHEK1 (0.41) ERBB2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL3971627 0.73 RAB9A (0.39) MAPTRAPGEF4NPC1ALDH1A1RAB9A
SCHEMBL1043323 0.73 ACHE (0.48) RAPGEF4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100113457-A1 NOVEL PYRIDAZINE DERIVATIVES SYNGENTA CROP PROTECTION, INC. (US) 2010-05-06 US claimed
US-20100113457-A1 NOVEL PYRIDAZINE DERIVATIVES SYNGENTA CROP PROTECTION, INC. (US) 2010-05-06 US disclosed
EP-2121629-A1 NOVEL PYRIDAZINE DERIVATIVES Syngeta Participations AG (CH) 2009-11-25 EP disclosed
WO-2008049584-A1 NOVEL PYRIDAZINE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2008-05-02 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-20100113457-A1 NOVEL PYRIDAZINE DERIVATIVES C3AR1, C5, C1S ERBB2 3678/4885CYP11B1 657/4885CYP11B2 809/4885

“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.