SCHEMBL300596

SCHEMBL300596

CCC(C)(C)c1cccc(CN2CCOCC2)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.56
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 2/20 0.51
HTT P42858 2/20 0.51
HPGD P15428 1/20 0.51
NOS1 P29475 1/20 0.51
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
PSMB8 P28062 1/20 0.46
HRH3 Q9Y5N1 3/20 0.45
CNR2 P34972 3/20 0.45
CNR1 P21554 1/20 0.45
BRD4 O60885 1/20 0.45
LMNA P02545 1/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL270611 0.87 NCF1 (0.60) NCF1ALDH1A1KDM4EHTTHPGD
SCHEMBL13868440 0.82 HRH3 (0.59) ALDH1A1HPGDNOS1SMN1; SMN2HRH3
SCHEMBL10235392 0.82 NCF1 (0.71) NCF1ALDH1A1KDM4EHTTHPGD
SCHEMBL4240373 0.81 ALDH1A1 (0.72) NCF1ALDH1A1KDM4EHTTHPGD
SCHEMBL11196105 0.79 NCF1 (0.83) NCF1ALDH1A1KDM4EHTTHPGD
SCHEMBL10190892 0.79 NCF1 (0.67) NCF1ALDH1A1KDM4EHTTHPGD
SCHEMBL10244180 0.76 NCF1 (0.67) NCF1ALDH1A1KDM4EHTTHPGD
SCHEMBL178443 0.75 NCF1 (0.66) NCF1ALDH1A1KDM4EHTTHPGD
SCHEMBL807251 0.75 NCF1 (0.66) NCF1ALDH1A1KDM4EHTTHPGD
SCHEMBL16378748 0.75 HRH3 (0.54) NCF1ALDH1A1KDM4EHTTHPGD

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-8133900-B2 Use of bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2012-03-13 US disclosed
US-20090286789-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases TARGEGEN, INC. (US) 2009-11-19 US 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-20090286789-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases JAK2, TYK2, LTK NCF1 1372/4885ALDH1A1 3662/4885KDM4E 1356/4885

“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.