SCHEMBL719490

SCHEMBL719490

C=Cc1c(N)nc(-c2ccc(C#N)cc2)nc1C(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 1/20 0.39
MAP4K4 O95819 2/20 0.38
MINK1 Q8N4C8 1/20 0.38
TNIK Q9UKE5 1/20 0.38
CISD2 Q8N5K1 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
PKM P14618 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ATR Q13535 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
FPR2 P25090 1/20 0.36
SCN9A Q15858 1/20 0.36
HPGD P15428 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL16035755 0.87 KDM4E (0.40) KDM4EALDH1A1L3MBTL1PKMSMN1; SMN2
SCHEMBL719539 0.87 CA12 (0.47) KDM4EALDH1A1L3MBTL1PKMSMN1; SMN2
SCHEMBL721162 0.85 KDM4E (0.51) KDM4EALDH1A1L3MBTL1PKMSMN1; SMN2
SCHEMBL720191 0.85 KDM4E (0.41) KDM4EALDH1A1L3MBTL1PKMSMN1; SMN2
SCHEMBL718383 0.84 LMNA (0.41) KDM4EALDH1A1L3MBTL1PKMSMN1; SMN2
SCHEMBL16036947 0.84 KDM4E (0.39) KDM4EALDH1A1L3MBTL1PKMSMN1; SMN2
SCHEMBL719484 0.84 RAB9A (0.41) KDM4EALDH1A1L3MBTL1PKMSMN1; SMN2
SCHEMBL16036469 0.83 CYP11B1 (0.38) EGLN2KDM4EALDH1A1CA12CA1
SCHEMBL29557197 0.83 CYP11B1 (0.38) EGLN2KDM4EALDH1A1CA12CA1
SCHEMBL27846667 0.82 LOXL2 (0.47) KDM4EALDH1A1L3MBTL1PKMSMN1; SMN2

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-20120115724-A1 METHOD OF CONTROLLING UNDESIRED VEGETATION SYNGENTA CROP PROTECTION LLC (US) 2012-05-10 US disclosed
US-20120053053-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA CROP PROTECTION, LLC (US) 2012-03-01 US disclosed
WO-2010125332-A1 METHOD OF CONTROLLING UNDESIRED VEGETATION SYNGENTA LIMITED (GB) 2010-11-04 WO disclosed
WO-2010092339-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA LIMITED (GB) 2010-08-19 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 (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-20120053053-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES DPYD, DHODH, TYMP EGLN2 2677/4885MAP4K4 2309/4885MINK1 2455/4885
US-20120115724-A1 METHOD OF CONTROLLING UNDESIRED VEGETATION TYMS, DHFR, UNG EGLN2 1273/4885MAP4K4 1880/4885MINK1 1578/4885

“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.