SCHEMBL4201476

SCHEMBL4201476

CCC(C)c1c(Cl)nc(-n2cccn2)nc1N1CCC(C)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 11/20 0.40
LMNA P02545 3/20 0.36
HTT P42858 1/20 0.36
TSHR P16473 2/20 0.36
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
PKM P14618 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA2B P29275 1/20 0.34
ADORA1 P30542 1/20 0.34
TRPV1 Q8NER1 1/20 0.32
POLB P06746 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CCR10 P46092 1/20 0.32

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 0.89 TSHR (0.41) ADORA2ALMNAHTTTSHRKMT2A
SCHEMBL4196148 0.87 ADORA2A (0.38) ADORA2ALMNAHTTTSHRKMT2A
SCHEMBL4199465 0.86 ADORA2A (0.39) ADORA2ALMNAHTTTSHRKMT2A
SCHEMBL4197196 0.85 ADORA2A (0.36) ADORA2ALMNAHTTTSHRKMT2A
SCHEMBL4189045 0.81 ADORA2A (0.38) ADORA2ALMNAHTTTSHRKMT2A
SCHEMBL4205202 0.81 ADORA2A (0.35) ADORA2ALMNATSHRKMT2AMEN1
SCHEMBL4195359 0.76 ADORA2A (0.40) ADORA2ALMNAHTTADORA3ADORA2B
SCHEMBL4205235 0.75 SMN1; SMN2 (0.37) LMNAHTTTSHRKMT2AMEN1
SCHEMBL4192247 0.73 TRPV1 (0.34) LMNATSHRKMT2AMEN1PKM
SCHEMBL4199246 0.72 ADORA2A (0.39) ADORA2ALMNAHTTADORA3ADORA2B

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 4597/4885HTT 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.