SCHEMBL5477992

SCHEMBL5477992

Oc1ncnc(O)c1Cc1cccc(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.48
HCAR2 Q8TDS4 1/20 0.46
ENPP1 P22413 1/20 0.43
SRC P12931 1/20 0.43
HTR3E A5X5Y0 2/20 0.42
HTR3B O95264 2/20 0.42
HTR3A P46098 2/20 0.42
HTR3D Q70Z44 2/20 0.42
HTR3C Q8WXA8 2/20 0.42
TAAR1 Q96RJ0 2/20 0.42
BACE1 P56817 1/20 0.42
MAOB P27338 1/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL5470044 0.82 ALDH1A1 (0.49) PNMTHCAR2ENPP1SRCHTR3E
SCHEMBL5815287 0.82 S100A9 (0.33) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL5814448 0.79 HCAR2 (0.46) HCAR2TAAR1MAOB
SCHEMBL5809568 0.79 AKT1 (0.43) ENPP1LMNA
SCHEMBL5479684 0.79 HCAR2 (0.46) HCAR2ENPP1TAAR1MAOB
SCHEMBL5477397 0.77 CALM1 (0.46) TAAR1
SCHEMBL857948 0.76 ENPP1 (0.49) PNMTENPP1SRCTAAR1LMNA
SCHEMBL3300276 0.74 PNMT (0.65) PNMTHTR3EHTR3BHTR3AHTR3D
SCHEMBL4210476 0.74 GPR52 (0.41) PNMTHCAR2LMNA
SCHEMBL11796800 0.71 ESR1 (0.56) PNMTHCAR2HTR3EHTR3BHTR3A

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-20070167421-A1 Pyrimidine derivatives and use thereof as agricultural and horticultural fungicides ITO MASHITO 2007-07-19 US disclosed
WO-2006136327-A1 FUNGICIDAL BENZYLPYRIMIDINE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2006-12-28 WO disclosed
EP-1718305-A1 PYRIMIDINE DERIVATIVES AND USE THEREOF AS AGRICULTURAL AND HORTICULTURAL FUNGICIDES Bayer CropScience AG (DE) 2006-11-08 EP disclosed
WO-2005079798-A1 PYRIMIDINE DERIVATIVES AND USE THEREOF AS AGRICULTURAL AND HORTICULTURAL FUNGICIDES BAYER CROPSCIENCE AG (DE) 2005-09-01 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-20070167421-A1 Pyrimidine derivatives and use thereof as agricultural and horticultural fungicides DPYD, DHFR, TYMP PNMT 1342/4885HCAR2 1168/4885ENPP1 544/4885

“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.