SCHEMBL4199465

SCHEMBL4199465

CCC(C)c1c(C#N)nc(-n2cccn2)nc1N1CCC(C)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.39
RAB9A P51151 4/20 0.35
HTT P42858 3/20 0.35
TSHR P16473 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
LMNA P02545 3/20 0.34
MAPT P10636 3/20 0.34
CASP7 P55210 2/20 0.34
RCE1 Q9Y256 1/20 0.34
BRCA1 P38398 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 3/20 0.33
HPGD P15428 3/20 0.33
NPC1 O15118 3/20 0.33
HSD17B10 Q99714 2/20 0.33
PDE4A P27815 1/20 0.33
STAT6 P42226 1/20 0.33

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
SCHEMBL4201476 0.86 ADORA2A (0.40) ADORA2AHTTTSHRLMNAMEN1
SCHEMBL4203691 0.86 TSHR (0.41) ADORA2AHTTTSHRSMN1; SMN2LMNA
SCHEMBL4196148 0.84 ADORA2A (0.38) ADORA2AHTTTSHRLMNAMAPT
SCHEMBL4197196 0.84 ADORA2A (0.36) ADORA2AHTTTSHRLMNAMAPT
SCHEMBL4189045 0.79 ADORA2A (0.38) ADORA2ARAB9AHTTTSHRSMN1; SMN2
SCHEMBL4205202 0.78 ADORA2A (0.35) ADORA2ATSHRL3MBTL1LMNAMAPT
SCHEMBL4195359 0.64 ADORA2A (0.40) ADORA2AHTTL3MBTL1LMNAMAPT
SCHEMBL13036137 0.63 MAPT (0.49) RAB9AHTTTSHRSMN1; SMN2L3MBTL1
SCHEMBL3951275 0.61 PDE4A (0.37) RAB9AHTTTSHRSMN1; SMN2LMNA
SCHEMBL4205235 0.61 SMN1; SMN2 (0.37) HTTTSHRSMN1; SMN2L3MBTL1LMNA

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 608/4885RAB9A 1949/4885HTT 1033/4885

“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.