SCHEMBL2326367

SCHEMBL2326367

CC(C)(C)N(C(=O)O)C(=NC(=O)O)N(c1ccnc(Cl)c1)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.34
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMARCA2 P51531 1/20 0.31
SMARCA4 P51532 1/20 0.31
CNR2 P34972 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
SCHEMBL71090 0.81 SMARCA2 (0.41) GRM5KDM4EALDH1A1SMARCA2SMARCA4
SCHEMBL27671792 0.74 GRM5 (0.40) GRM5KDM4EALDH1A1SMARCA2SMARCA4
SCHEMBL1400929 0.68 ALDH1A1 (0.46) GRM5KDM4EALDH1A1SMARCA2SMARCA4
SCHEMBL1459501 0.68 CCNC (0.44) GRM5KDM4EALDH1A1SMARCA2SMARCA4
SCHEMBL3550705 0.67 RORC (0.33)
SCHEMBL27690798 0.65 CCNC (0.35) GRM5KDM4EALDH1A1SMARCA2SMARCA4
SCHEMBL25216054 0.65 AR (0.45) GRM5KDM4EALDH1A1CNR2
SCHEMBL15880966 0.63 NPSR1 (0.42) KDM4EALDH1A1SMARCA2SMARCA4
SCHEMBL29799450 0.62 ATR (0.40) GRM5KDM4EALDH1A1SMARCA2SMARCA4
SCHEMBL7503086 0.62 ATR (0.40) GRM5KDM4EALDH1A1SMARCA2SMARCA4

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-8273759-B2 Fungicide heterocyclyl-pyrimidinyl-amino derivatives BAYER CROPSCIENCE AG (DE) 2012-09-25 US disclosed
US-20110218188-A1 SUBSTITUTED (PYRIDYL)-AZINYLAMINE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2011-09-08 US disclosed
EP-2356107-A1 SUBSTITUTED (PYRIDYL)-AZINYLAMINE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2011-08-17 EP disclosed
US-20100204229-A1 FUNGICIDE HETEROCYCLYL-PYRIMIDINYL-AMINO DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-08-12 US 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-20110218188-A1 SUBSTITUTED (PYRIDYL)-AZINYLAMINE DERIVATIVES AS FUNGICIDES CYP1A1, CYP1A2, PNPO GRM5 2422/4885KDM4E 315/4885ALDH1A1 346/4885
US-20100204229-A1 FUNGICIDE HETEROCYCLYL-PYRIMIDINYL-AMINO DERIVATIVES PAH, CYP4X1, PRXL2A GRM5 2376/4885KDM4E 762/4885ALDH1A1 1331/4885

“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.