SCHEMBL2861684

SCHEMBL2861684

COc1ccc(Cn2c(=O)oc(=O)c3cc(OC)c(OC(C)C)cc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.53
LMNA P02545 3/20 0.53
TSHR P16473 3/20 0.53
HTT P42858 3/20 0.53
GAA P10253 2/20 0.53
MAPK1 P28482 2/20 0.53
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 2/20 0.49
RXFP1 Q9HBX9 1/20 0.47
ALDH1A1 P00352 1/20 0.43
THRB P10828 1/20 0.43
PDE1A P54750 1/20 0.43
PDE1B Q01064 1/20 0.43
PDE1C Q14123 1/20 0.43
MAPT P10636 1/20 0.43
P2RX4 Q99571 1/20 0.42
POLB P06746 1/20 0.40
CD74 P04233 1/20 0.40
MIF P14174 1/20 0.40

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
SCHEMBL2859999 0.92 KDM4E (0.53) SMN1; SMN2LMNATSHRHTTGAA
SCHEMBL2866988 0.85 MEN1 (0.56) SMN1; SMN2LMNATSHRHTTGAA
SCHEMBL2867149 0.78 KDM4E (0.47) SMN1; SMN2LMNATSHRHTTGAA
SCHEMBL13025172 0.77 KDM4E (0.46) SMN1; SMN2LMNATSHRHTTGAA
SCHEMBL606151 0.77 IDO1 (0.51) LMNATSHRMAPK1MEN1KMT2A
SCHEMBL30908758 0.77 IDO1 (0.51) LMNATSHRMAPK1MEN1KMT2A
SCHEMBL2860677 0.75 P2RX4 (0.68) SMN1; SMN2GAAMAPK1MEN1KMT2A
SCHEMBL2868888 0.75 MIF (0.46) SMN1; SMN2LMNATSHRHTTGAA
SCHEMBL3932038 0.74 KDM4E (0.56) LMNATSHRMAPK1KMT2AKDM4E
SCHEMBL18341934 0.73 P2RX4 (0.48) SMN1; SMN2GAAMAPK1MEN1KMT2A

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 5 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-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 SMN1; SMN2 4851/4885LMNA 4123/4885TSHR 1146/4885

“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.