SCHEMBL20064671

SCHEMBL20064671

Cc1nn2c(C)cc(C(=O)O)nc2c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.41
APOBEC3A P31941 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
GPR35 Q9HC97 2/20 0.38
HTR6 P50406 1/20 0.38
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
HIF1A Q16665 1/20 0.37
DAO P14920 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
CFTR P13569 3/20 0.36
HSD17B10 Q99714 3/20 0.34
LMNA P02545 2/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
HPGD P15428 1/20 0.33
BAZ2B Q9UIF8 1/20 0.33

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
SCHEMBL20064664 0.83 ALDH1A1 (0.35) KDM4EAPOBEC3ACTDSP1APOBEC3GHTR6
SCHEMBL20064665 0.80 CYP1A2 (0.44) KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL20723096 0.79 KDM4E (0.55) KDM4EAPOBEC3ACTDSP1APOBEC3GHSD17B10
SCHEMBL20723025 0.78 KDM4E (0.41) KDM4EAPOBEC3ACTDSP1APOBEC3GRXFP1
SCHEMBL13134040 0.74 KDM4E (0.51) KDM4EHTR6TSHRHSD17B10ALDH1A1
SCHEMBL21816211 0.73 KDM4E (0.44) KDM4EHTR6HSD17B10LMNAALDH1A1
SCHEMBL4989085 0.72 KDM4E (0.51) KDM4EAPOBEC3ATSHRHSD17B10LMNA
SCHEMBL20065121 0.72 KMT2A (0.43) KDM4EALOX15TSHRHIF1ALMNA
SCHEMBL21816155 0.71 PIK3CG (0.45) KDM4ETSHRHSD17B10LMNAALDH1A1
SCHEMBL25465499 0.71 MAPT (0.38) KDM4EGPR35CFTRHSD17B10ALDH1A1

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 3598/4885APOBEC3A 1209/4885CTDSP1 724/4885

“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.