SCHEMBL2869208

SCHEMBL2869208

COc1cc2[nH]c(=O)c3c(N)n(-c4cnc(Oc5ccccc5)cc4C)nc3c2cc1OC

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BTK Q06187 3/20 0.39
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
RIOK2 Q9BVS4 3/20 0.36
TRPC6 Q9Y210 2/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRL1 P41146 1/20 0.35
PDE10A Q9Y233 1/20 0.34
DRD1 P21728 1/20 0.34
ADORA3 P0DMS8 1/20 0.33
ADORA1 P30542 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL2865015 0.88 BTK (0.41) BTKRIOK2ADORA3ADORA1
SCHEMBL2872569 0.86 BTK (0.40) BTKALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2862884 0.84 BTK (0.37) BTKALDH1A1RIOK2
SCHEMBL2868730 0.82 ADORA3 (0.42) ALDH1A1KDM4EHPGDHSD17B10PDE3B
SCHEMBL2862123 0.82 ALDH1A1 (0.44) BTKALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2868573 0.80 ADORA3 (0.39) BTKALDH1A1KDM4EHSD17B10ADORA3
SCHEMBL2866881 0.80 ALDH1A1 (0.36) ALDH1A1KDM4EHPGDHSD17B10PDE3B
SCHEMBL2870423 0.79 KDM4E (0.38) ALDH1A1KDM4EHPGDHSD17B10PDE10A
SCHEMBL2861219 0.79 KYAT3 (0.36) BTKALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2861593 0.79 CTSL (0.43) ALDH1A1KDM4EHPGDHSD17B10

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 BTK 272/4885ALDH1A1 2391/4885KDM4E 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.