SCHEMBL20064889

SCHEMBL20064889

Cc1cc(N)ccc1-c1cc2nc(C(=O)N(C)C)cc(C)n2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.40
ALDH1A1 P00352 9/20 0.40
HPGD P15428 5/20 0.40
MAPT P10636 4/20 0.40
HSD17B10 Q99714 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
GAA P10253 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPK1 P28482 1/20 0.40
POLB P06746 3/20 0.38
AHR P35869 1/20 0.38
TSHR P16473 1/20 0.37
NPC1 O15118 6/20 0.35
RAB9A P51151 6/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL20065216 0.88 KDM4E (0.42) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL20065289 0.87 KDM4E (0.40) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL20065284 0.87 KDM4E (0.43) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL20064866 0.86 NPC1 (0.44) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL20064895 0.85 KDM4E (0.41) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL20064893 0.84 OXTR (0.44) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL20065214 0.84 KDM4E (0.39) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL20065425 0.83 POLB (0.39) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL20065228 0.83 KDM4E (0.44) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL20065411 0.83 KDM4E (0.37) KDM4EALDH1A1HPGDMAPTHSD17B10

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.