SCHEMBL2861593

SCHEMBL2861593

COc1cc2[nH]c(=O)c3c(N)n(-c4cc(OCc5ccccc5)ccc4C)nc3c2cc1OC

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSL P07711 5/20 0.43
CTSV O60911 4/20 0.43
ALDH1A1 P00352 2/20 0.38
MAOA P21397 1/20 0.38
CTSB P07858 1/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MMP13 P45452 1/20 0.36
CHEK1 O14757 1/20 0.36
OPRK1 P41145 1/20 0.36
IP6K1 Q92551 1/20 0.36

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
SCHEMBL2870423 0.87 KDM4E (0.38) ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2868730 0.84 ADORA3 (0.42) ALDH1A1KDM4EHPGDHSD17B10CHEK1
SCHEMBL2860224 0.83 RET (0.39) ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2867465 0.81 EGFR (0.37) ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2868559 0.79 ADORA3 (0.47) ALDH1A1KDM4EHPGDHSD17B10CHEK1
SCHEMBL2862989 0.79 MDM4 (0.36) ALDH1A1KDM4EHPGD
SCHEMBL2869208 0.79 BTK (0.39) ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2865506 0.79 SRC (0.46)
SCHEMBL2861437 0.78 KDM4E (0.46) ALDH1A1MAOAKDM4E
SCHEMBL2871102 0.78 MMP13 (0.38) CTSLCTSVCTSBMMP13

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 CTSL 3808/4885CTSV 4400/4885ALDH1A1 2391/4885

“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.