SCHEMBL6345704

SCHEMBL6345704

CCOC(=O)c1cnc2c(cnn2-c2ccccn2)c1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.64
NPC1 O15118 4/20 0.64
RAB9A P51151 4/20 0.64
TP53 P04637 2/20 0.64
PTGS2 P35354 1/20 0.54
ALDH1A1 P00352 7/20 0.48
KDM4E B2RXH2 6/20 0.48
MAPT P10636 5/20 0.48
HTT P42858 2/20 0.48
GAA P10253 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
PDE4B Q07343 3/20 0.47
TSHR P16473 2/20 0.47
USP2 O75604 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
LMNA P02545 2/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NFKB1 P19838 2/20 0.46

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
SCHEMBL6290508 0.85 PDE4B (0.62) HPGDNPC1RAB9ATP53ALDH1A1
SCHEMBL6351596 0.81 ALDH1A1 (0.63) HPGDNPC1RAB9ATP53PTGS2
SCHEMBL120748 0.80 RAB9A (0.77) HPGDNPC1RAB9ATP53PTGS2
SCHEMBL13887597 0.78 HPGD (0.74) HPGDNPC1RAB9ATP53PTGS2
SCHEMBL1334825 0.78 HPGD (0.74) HPGDNPC1RAB9ATP53PTGS2
SCHEMBL1335629 0.78 NPC1 (1.00) HPGDNPC1RAB9ATP53PTGS2
SCHEMBL10514584 0.78 HPGD (0.74) HPGDNPC1RAB9ATP53PTGS2
SCHEMBL2626727 0.77 MAPT (0.63) HPGDNPC1RAB9AALDH1A1KDM4E
SCHEMBL27700589 0.77 HPGD (0.72) HPGDNPC1RAB9ATP53PTGS2
SCHEMBL7012617 0.76 PDE4B (0.67) HPGDNPC1RAB9AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6949648-B2 Condensed pyrazole derivatives, process for producing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-09-27 US disclosed
US-20030187014-A1 Condensed pyrazole derivatives, process for producing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-10-02 US disclosed
EP-1270572-A1 CONDENSED PYRAZOLE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-01-02 EP 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-20030187014-A1 Condensed pyrazole derivatives, process for producing the same and use thereof PTGS1, PTGIS, IL5 HPGD 19/4885NPC1 4224/4885RAB9A 3432/4885

“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.