SCHEMBL4197196

SCHEMBL4197196

CCC(C)c1c(N2CCC(C)CC2)nc(-n2cccn2)nc1S(C)(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.36
LMNA P02545 2/20 0.33
CASP7 P55210 2/20 0.33
BRCA1 P38398 1/20 0.33
HTT P42858 1/20 0.33
TSHR P16473 2/20 0.33
KMT2A Q03164 5/20 0.32
MEN1 O00255 4/20 0.32
ALDH1A1 P00352 3/20 0.32
HPGD P15428 1/20 0.32
ALOX12 P18054 1/20 0.32
POLB P06746 2/20 0.32
CCR10 P46092 1/20 0.31
MAPT P10636 2/20 0.31
ADORA3 P0DMS8 1/20 0.31
ADORA2B P29275 1/20 0.31
ADORA1 P30542 1/20 0.31
PKM P14618 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CASP1 P29466 1/20 0.31

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
SCHEMBL4203691 0.85 TSHR (0.41) ADORA2ALMNAHTTTSHRKMT2A
SCHEMBL4201476 0.85 ADORA2A (0.40) ADORA2ALMNAHTTTSHRKMT2A
SCHEMBL4199465 0.84 ADORA2A (0.39) ADORA2ALMNACASP7BRCA1HTT
SCHEMBL4196148 0.83 ADORA2A (0.38) ADORA2ALMNAHTTTSHRKMT2A
SCHEMBL4205202 0.79 ADORA2A (0.35) ADORA2ALMNATSHRKMT2AMEN1
SCHEMBL4189045 0.77 ADORA2A (0.38) ADORA2ALMNAHTTTSHRKMT2A
SCHEMBL4196489 0.71 ADORA2A (0.37) ADORA2APOLB
SCHEMBL4192247 0.69 TRPV1 (0.34) LMNACASP7BRCA1TSHRKMT2A
SCHEMBL4195359 0.63 ADORA2A (0.40) ADORA2ALMNAHTTALDH1A1POLB
SCHEMBL3951275 0.60 PDE4A (0.37) LMNAHTTTSHRKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042917-A1 Aminopyrimidine Derivative and Plant Disease Control Agent for Agricultural or Horticultural Use KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2009-02-12 US disclosed
EP-2006288-A1 AMINOPYRIDINE DERIVATIVE AND PLANT DISEASE CONTROL AGENT FOR AGRICULTURAL OR HORTICULTURAL USE KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2008-12-24 EP 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-20090042917-A1 Aminopyrimidine Derivative and Plant Disease Control Agent for Agricultural or Horticultural Use DPYD, PM20D2, PDCD11 ADORA2A 608/4885LMNA 4597/4885CASP7 1329/4885

“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.