SCHEMBL4189045

SCHEMBL4189045

CCC(C)c1cnc(-n2cccn2)nc1N1CCC(C)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.38
ALDH1A1 P00352 4/20 0.37
TSHR P16473 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KMT2A Q03164 3/20 0.35
LMNA P02545 3/20 0.35
MAPT P10636 3/20 0.35
ACHE P22303 2/20 0.35
NPC1 O15118 2/20 0.35
HPGD P15428 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35
PKM P14618 1/20 0.35
HTT P42858 1/20 0.34
TP53 P04637 1/20 0.34
DYRK1A Q13627 2/20 0.32
POLB P06746 1/20 0.32
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 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 0.81 TSHR (0.41) ADORA2AALDH1A1TSHRKMT2ALMNA
SCHEMBL4201476 0.81 ADORA2A (0.40) ADORA2AALDH1A1TSHRKMT2ALMNA
SCHEMBL4196148 0.80 ADORA2A (0.38) ADORA2AALDH1A1TSHRKMT2ALMNA
SCHEMBL4199465 0.79 ADORA2A (0.39) ADORA2AALDH1A1TSHRL3MBTL1KMT2A
SCHEMBL4197196 0.77 ADORA2A (0.36) ADORA2AALDH1A1TSHRKMT2ALMNA
SCHEMBL4205202 0.74 ADORA2A (0.35) ADORA2AALDH1A1TSHRL3MBTL1KMT2A
SCHEMBL4199177 0.69 ADORA2A (0.34) ADORA2AALDH1A1
SCHEMBL20867116 0.63 HTT (0.49) ADORA2AALDH1A1TSHRLMNASMN1; SMN2
SCHEMBL20098307 0.62 ALOX15 (0.63) ADORA2AALDH1A1TSHRL3MBTL1KMT2A
SCHEMBL18412798 0.61 HTT (0.53) ADORA2AALDH1A1TSHRLMNASMN1; SMN2

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 608/4885ALDH1A1 1884/4885TSHR 3904/4885

“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.