SCHEMBL6344220

SCHEMBL6344220

Cc1cccc(-n2nc(C)c3c(=O)c4ccccc4[nH]c32)n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
HSP90AA1 P07900 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
PAX8 Q06710 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.39
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TNF P01375 1/20 0.38
ATM Q13315 1/20 0.38
NOD2 Q9HC29 1/20 0.38
NOD1 Q9Y239 1/20 0.38
HAVCR2 Q8TDQ0 1/20 0.38
CYP1A2 P05177 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
SCHEMBL6349093 0.89 RAB9A (0.39) MEN1NPC1HSP90AA1PKMRAB9A
SCHEMBL6351721 0.84 LMNA (0.52) MEN1NPC1HSP90AA1PKMRAB9A
SCHEMBL6339985 0.84 L3MBTL1 (0.43) KMT2ASMN1; SMN2HPGDMAPK1HSD17B10
SCHEMBL6344723 0.84 ALDH1A1 (0.38) MEN1KMT2ASMN1; SMN2HPGDMAPK1
SCHEMBL6345255 0.83 GABRP (0.38) ABCG2HSD17B10KDM4E
Hydrochloric Acid SCHEMBL6353391 0.79 MEN1 (0.40) MEN1NPC1HSP90AA1PKMRAB9A
SCHEMBL6341041 0.79 CCNA2 (0.40) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL6342517 0.79 HPGD (0.42) MEN1NPC1HSP90AA1PKMRAB9A
SCHEMBL6342472 0.78 HPGD (0.50) MEN1KMT2AHPGDMAPK1HSD17B10
SCHEMBL6342884 0.75 HPGD (0.47) MEN1KMT2AHPGDMAPK1HSD17B10

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 MEN1 4422/4885NPC1 4224/4885HSP90AA1 1562/4885

“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.