SCHEMBL6426151

SCHEMBL6426151

O=C(NCc1ccco1)c1cnc2[nH]nc(-c3ccc4ccccc4c3)c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.58
MAPT P10636 2/20 0.58
TSHR P16473 2/20 0.58
TP53 P04637 2/20 0.58
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
PSMD14 O00487 1/20 0.52
STAMBP O95630 1/20 0.52
CACNA1B Q00975 1/20 0.51
APBA1 Q02410 1/20 0.51
MAPK8 P45983 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
ADORA2A P29274 1/20 0.48
ADORA2B P29275 1/20 0.48
ADORA1 P30542 1/20 0.48
GRM5 P41594 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL13927636 0.89 MAPK8 (0.58) HPGDMAPTTSHRTP53NPC1
SCHEMBL4334934 0.83 HPGD (0.56) HPGDMAPTTSHRTP53NPC1
SCHEMBL5032424 0.83 RAB9A (0.53) HPGDMAPTTSHRTP53NPC1
SCHEMBL6428817 0.83 ALDH1A1 (0.52) HPGDMAPTTSHRNPC1RAB9A
SCHEMBL6428249 0.81 PSMD14 (0.52) TSHRPSMD14STAMBPSMN1; SMN2ALDH1A1
SCHEMBL6426385 0.80 HDAC3 (0.41) NPC1RAB9AMAPK8MAPK1
SCHEMBL6426048 0.79 HPGD (0.53) HPGDMAPTTSHRTP53NPC1
SCHEMBL4150719 0.78 CA12 (0.48) MAPK1
SCHEMBL4339885 0.77 HPGD (0.51) HPGDMAPTTSHRTP53NPC1
SCHEMBL13927649 0.77 RAB9A (0.53) HPGDMAPTTSHRTP53NPC1

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-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 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-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B HPGD 2100/4885MAPT 3014/4885TSHR 992/4885

“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.