SCHEMBL17066470

SCHEMBL17066470

Cc1cnn(-c2ccccc2C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.49
NPSR1 Q6W5P4 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
FLT3 P36888 1/20 0.44
GSK3B P49841 1/20 0.44
RXRA P19793 5/20 0.43
GRIN1 Q05586 5/20 0.43
GRIN2B Q13224 5/20 0.43
ALDH1A1 P00352 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MAPK14 Q16539 2/20 0.39
MAPK11 Q15759 1/20 0.39
ADORA3 P0DMS8 2/20 0.39
ADORA2A P29274 1/20 0.39
HPGD P15428 2/20 0.38
MGLL Q99685 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
SCHEMBL27159628 0.81 TDO2 (0.46) TDO2NPSR1KDM4EMAPTMAPK1
SCHEMBL9131851 0.81 TDO2 (0.46) TDO2NPSR1KDM4EMAPTMAPK1
SCHEMBL5546869 0.81 GRM4 (0.48) TDO2NPSR1KDM4EMAPTMAPK1
SCHEMBL12365100 0.81 ELANE (0.47) KDM4EFLT3GSK3BRXRAGRIN1
SCHEMBL22633214 0.81 MAPK14 (0.43) TDO2NPSR1MAPTL3MBTL1FLT3
SCHEMBL23398990 0.81 GAA (0.56) FLT3GSK3BRXRAGRIN1GRIN2B
SCHEMBL671958 0.81 ELANE (0.47) FLT3GSK3BRXRAGRIN1GRIN2B
SCHEMBL17066473 0.78 TDO2 (0.47) TDO2NPSR1KDM4EMAPTMAPK1
SCHEMBL18254780 0.78 RXRA (0.40) NPSR1FLT3GSK3BRXRAGRIN1
SCHEMBL17952503 0.78 GRM4 (0.41) NPSR1MAPTL3MBTL1FLT3GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160339032-A1 TETRAHYDROPYRAZOLOPYRIMIDINE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-11-24 US disclosed
US-9446046-B2 Tetrahydropyrazolopyrimidine compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-09-20 US disclosed
US-20160030430-A1 TETRAHYDROPYRAZOLOPYRIMIDINE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-02-04 US disclosed
US-9126999-B2 Tetrahydropyrazolopyrimidine compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-09-08 US disclosed
CN-100497358-C Iridium compound and organic electroluminescent device using the same SAMSUNG SDI CO LTD (KR) 2009-06-10 CN 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 (2 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-20160030430-A1 TETRAHYDROPYRAZOLOPYRIMIDINE COMPOUNDS SSB, TLR8, TLR9 TDO2 3200/4885NPSR1 1247/4885KDM4E 1640/4885
US-20160339032-A1 TETRAHYDROPYRAZOLOPYRIMIDINE COMPOUNDS SSB, TLR8, TLR9 TDO2 3200/4885NPSR1 1247/4885KDM4E 1640/4885

“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.