Sugi Predict

Sugi Predict / Compounds / SCHEMBL2861219

SCHEMBL2861219

SCHEMBL2861219

COc1cc(-n2nc3c(c2N)c(=O)[nH]c2cc(O)ccc23)c(C)cc1Oc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KYAT3 Q6YP21 1/20 0.36
▸ AADAT Q8N5Z0 1/20 0.36
▸ BTK Q06187 2/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ HPGD P15428 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ NTRK1 P04629 2/20 0.34
▸ IGF1R P08069 2/20 0.34
▸ FGFR1 P11362 2/20 0.34
▸ NTRK2 Q16620 2/20 0.34
▸ TDP2 O95551 1/20 0.34
▸ NR1H4 Q96RI1 1/20 0.34
▸ CYP1A2 P05177 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ GLA P06280 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
SCHEMBL2867785 0.91 NTRK1 (0.36) BTKALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2865482 0.91 KDM4E (0.34) BTKALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2868573 0.90 ADORA3 (0.39) KYAT3AADATBTKALDH1A1KDM4E
SCHEMBL2868587 0.88 KDM4E (0.38) ALDH1A1KDM4EHPGDTDP2GLA
SCHEMBL2857657 0.87 POLB (0.37) KYAT3AADATBTKALDH1A1KDM4E
SCHEMBL5790922 0.87 GAA (0.37) KYAT3AADATBTKFGFR1POLB
SCHEMBL2867315 0.86 PDGFRB (0.33) KYAT3AADATBTKALDH1A1KDM4E
SCHEMBL2870382 0.86 BTK (0.47) BTKALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2859221 0.86 CYP1A2 (0.39) BTKALDH1A1KDM4EHPGDHSD17B10
SCHEMBL13025340 0.86 SMN1; SMN2 (0.40) KYAT3AADATBTKALDH1A1KDM4E

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 KYAT3 728/4885AADAT 2941/4885BTK 272/4885

“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.