SCHEMBL720422

SCHEMBL720422

CCOC(=O)c1nc(-c2ccc(C(F)(F)F)cc2)nc(N(C)C)c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
KMT2A Q03164 3/20 0.48
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 1/20 0.48
HSP90AA1 P07900 1/20 0.48
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAOB P27338 1/20 0.42
FOS P01100 1/20 0.42
JUN P05412 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
MLYCD O95822 2/20 0.42
CDC7 O00311 1/20 0.41
DBF4 Q9UBU7 1/20 0.41
ADORA3 P0DMS8 3/20 0.41
DHODH Q02127 1/20 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
SCHEMBL10252566 0.87 ALDH1A1 (0.51) MAPTKMT2AKDM4EMEN1ALDH1A1
SCHEMBL718194 0.86 MAPT (0.50) MAPTKMT2AKDM4EMEN1HSP90AA1
SCHEMBL717687 0.84 MAPT (0.57) MAPTKMT2AKDM4EMEN1HSP90AA1
SCHEMBL1397103 0.76 MAPT (0.47) MAPTKMT2AKDM4EMEN1HSP90AA1
SCHEMBL23575268 0.73 TP53 (0.50) MAPTKMT2AKDM4EMEN1ALDH1A1
SCHEMBL31115743 0.73 ALDH1A1 (0.53) MAPTKMT2AKDM4EMEN1HSP90AA1
SCHEMBL14640518 0.73 MAPT (0.58) MAPTKMT2AKDM4EMEN1HSP90AA1
SCHEMBL2294507 0.72 MAPT (0.57) MAPTKMT2AKDM4EMEN1HSP90AA1
SCHEMBL30357866 0.72 MAOB (0.57) MAPTKMT2AKDM4EMEN1HSP90AA1
SCHEMBL17803271 0.72 MAPT (0.50) MAPTKMT2AKDM4EMEN1HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120053053-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA CROP PROTECTION, LLC (US) 2012-03-01 US disclosed
EP-2396306-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES Syngenta Limited (GB) 2011-12-21 EP 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 (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-20120053053-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES DPYD, DHODH, TYMP MAPT 2842/4885KMT2A 2226/4885KDM4E 2202/4885

“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.