SCHEMBL20064703

SCHEMBL20064703

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.42
ALDH1A1 P00352 5/20 0.42
HSD17B10 Q99714 5/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HPGD P15428 3/20 0.42
CYP1A2 P05177 1/20 0.42
TP53 P04637 1/20 0.39
GAA P10253 4/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39
THRB P10828 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
SCHEMBL20064665 0.86 CYP1A2 (0.44) KDM4EALDH1A1HSD17B10NPC1RAB9A
SCHEMBL20723220 0.79 CYP1A2 (0.47) KDM4EALDH1A1HSD17B10NPC1RAB9A
SCHEMBL20065122 0.74 KDM4E (0.51) KDM4EALDH1A1HSD17B10NPC1RAB9A
SCHEMBL20064712 0.73 GAA (0.48) KDM4EALDH1A1HSD17B10NPC1RAB9A
SCHEMBL21189608 0.73 CYP1A2 (0.42) KDM4EALDH1A1HPGDCYP1A2MAPT
SCHEMBL21177528 0.72 ADORA3 (0.42) NPC1RAB9ASMN1; SMN2CYP1A2MAPT
SCHEMBL21177355 0.71 ADORA3 (0.42) ALDH1A1SMN1; SMN2CYP1A2MAPTGABRA2
SCHEMBL20723321 0.69 MAPT (0.39) KDM4EALDH1A1HSD17B10NPC1RAB9A
SCHEMBL14124198 0.69 KDM4E (0.63) KDM4EALDH1A1HSD17B10NPC1RAB9A
SCHEMBL20722996 0.69 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2CYP1A2GAAKMT2A

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 3193/4885HSD17B10 4623/4885

“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.