SCHEMBL2867332

SCHEMBL2867332

O=c1[nH]c2cc(NCCCN3CCOCC3)ccc2c2nn(-c3cc(O)ccc3Cl)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
IDE P14735 1/20 0.42
HTT P42858 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
RAD52 P43351 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
TERT O14746 1/20 0.41
ADORA3 P0DMS8 1/20 0.40
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39

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
SCHEMBL2865098 0.89 KDM4E (0.49) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL2868762 0.84 NPC1 (0.40) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL2864783 0.79 KDM4E (0.53) NPC1KDM4EALDH1A1HPGDMAPT
SCHEMBL2870092 0.76 KDM4E (0.53) NPC1KDM4EALDH1A1MAPTMEN1
SCHEMBL2859143 0.74 KDM4E (0.45) NPC1RAB9AKDM4EALDH1A1LMNA
SCHEMBL2860907 0.73 PIK3CD (0.44) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL2868414 0.71 ADORA3 (0.51) NPC1KDM4EALDH1A1HPGDLMNA
SCHEMBL2864613 0.71 JAK2 (0.46) KDM4EALDH1A1SIGMAR1
SCHEMBL2861641 0.68 JAK2 (0.50) NPC1KDM4EALDH1A1PARP1TP53
SCHEMBL9919023 0.68 RAD52 (0.56) NPC1RAB9AKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842701-B2 Pyrazoloquinolone derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-11-30 US disclosed
US-7842701-B2 Pyrazoloquinolone derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-11-30 US disclosed
US-7842701-B2 Pyrazoloquinolone derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-11-30 US disclosed
US-20070281963-A1 Pyrazoloquinolone Derivative And Use Thereof TAKEDA PHARMACEUTICAL COMPANY (JP) 2007-12-06 US disclosed
US-20070281963-A1 Pyrazoloquinolone Derivative And Use Thereof TAKEDA PHARMACEUTICAL COMPANY (JP) 2007-12-06 US disclosed
US-20070281963-A1 Pyrazoloquinolone Derivative And Use Thereof TAKEDA PHARMACEUTICAL COMPANY (JP) 2007-12-06 US disclosed
EP-1719771-A1 PYRAZOLOQUINOLONE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2006-11-08 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-20070281963-A1 Pyrazoloquinolone Derivative And Use Thereof MAP3K20, MAP4K5, MAP4K3 NPC1 4617/4885RAB9A 3594/4885KDM4E 1057/4885

“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.