SCHEMBL20064705

SCHEMBL20064705

CCOC(=O)c1cc(C)n2nc(-c3ccc(C#N)cc3C)cc2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.46
ALDH1A1 P00352 4/20 0.41
HPGD P15428 3/20 0.41
POLB P06746 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MAPT P10636 1/20 0.41
AHR P35869 1/20 0.41
OXTR P30559 3/20 0.41
AVPR1A P37288 2/20 0.41
GABRA1 P14867 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GAA P10253 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL20064706 0.85 KDM4E (0.45) KDM4EALDH1A1HPGDPOLBNPSR1
SCHEMBL20064738 0.84 KDM4E (0.42) KDM4EALDH1A1HPGDPOLBNPSR1
SCHEMBL20064710 0.83 KDM4E (0.48) KDM4EALDH1A1HPGDPOLBNPSR1
SCHEMBL20064893 0.83 OXTR (0.44) KDM4EALDH1A1HPGDNPSR1MAPT
SCHEMBL20064727 0.82 KDM4E (0.40) KDM4EALDH1A1HPGDPOLBNPSR1
SCHEMBL20064723 0.82 RAB9A (0.43) KDM4EALDH1A1HPGDPOLBNPSR1
SCHEMBL18198359 0.80 KDM4E (0.43) KDM4EALDH1A1HPGDPOLBNPSR1
SCHEMBL13501425 0.78 HSD17B10 (0.60) KDM4EALDH1A1HPGDPOLBNPSR1
SCHEMBL23998448 0.76 ADORA2A (0.47) KDM4EALDH1A1HPGDNPSR1MAPT
SCHEMBL23998449 0.75 ADORA2A (0.45) KDM4EHPGDPOLBMAPTGABRA2

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 KDM4E 3598/4885ALDH1A1 3193/4885HPGD 2564/4885

“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.