SCHEMBL20064665

SCHEMBL20064665

CCOC(=O)c1cc(C)n2nc(C)c(C)c2n1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
GAA P10253 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 7/20 0.41
KDM4E B2RXH2 6/20 0.41
HSD17B10 Q99714 5/20 0.41
HPGD P15428 3/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 2/20 0.39
ADORA3 P0DMS8 2/20 0.39
CSNK1D P48730 1/20 0.39
MEN1 O00255 1/20 0.38
ADORA2A P29274 1/20 0.38

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
SCHEMBL21189608 0.86 CYP1A2 (0.42) CYP1A2ALDH1A1KDM4EHPGDPOLB
SCHEMBL20064703 0.86 KDM4E (0.42) CYP1A2GAAKMT2AALDH1A1KDM4E
SCHEMBL20723220 0.81 CYP1A2 (0.47) CYP1A2GAAALDH1A1KDM4EHSD17B10
SCHEMBL20064671 0.80 KDM4E (0.41) ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL20064664 0.77 ALDH1A1 (0.35) GAAKMT2AALDH1A1KDM4EHPGD
SCHEMBL20065122 0.77 KDM4E (0.51) CYP1A2GAAKMT2AALDH1A1KDM4E
SCHEMBL20064712 0.75 GAA (0.48) CYP1A2GAAKMT2AALDH1A1KDM4E
SCHEMBL21177528 0.74 ADORA3 (0.42) CYP1A2SMN1; SMN2NPC1RAB9APOLB
SCHEMBL21177355 0.73 ADORA3 (0.42) CYP1A2ALDH1A1SMN1; SMN2POLBMAPT
SCHEMBL14124198 0.71 KDM4E (0.63) GAAKMT2AALDH1A1KDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180105529-A1 RSV ANTIVIRAL PYRAZOLO- AND TRIAZOLO-PYRIMIDINE COMPOUNDS JANSSEN SCIENCES IRELAND UC (IE) 2018-04-19 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-20180105529-A1 RSV ANTIVIRAL PYRAZOLO- AND TRIAZOLO-PYRIMIDINE COMPOUNDS ZC3HAV1, MAVS, TYMP CYP1A2 2306/4885GAA 2343/4885KMT2A 4144/4885

“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.