SCHEMBL2870221

SCHEMBL2870221

COc1ccc(Cn2c(=O)c3c(N)n(-c4nc(OC)ncc4C)nc3c3ccc(OC(C)C)cc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE1B Q01064 11/20 0.38
PDE1A P54750 7/20 0.38
PDE1C Q14123 7/20 0.38
ALDH1A1 P00352 3/20 0.36
USP2 O75604 3/20 0.36
CYP1A2 P05177 3/20 0.36
CYP3A4 P08684 3/20 0.36
HSD17B10 Q99714 2/20 0.36
CASP1 P29466 1/20 0.36
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
CYP2C9 P11712 2/20 0.34
TSHR P16473 2/20 0.34
CYP2C19 P33261 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
PLA2G10 O15496 1/20 0.34
CYP2D6 P10635 1/20 0.34
BRCA1 P38398 1/20 0.34
BLM P54132 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL2862341 0.84 PDE1B (0.40) PDE1BPDE1APDE1CALDH1A1TP53
SCHEMBL2861122 0.84 PDE1A (0.39) PDE1BPDE1APDE1CUSP2TP53
SCHEMBL2857641 0.83 PDE1B (0.38) PDE1BPDE1APDE1CALDH1A1USP2
SCHEMBL2862709 0.82 RXFP1 (0.42) PDE1BPDE1APDE1CTP53POLB
SCHEMBL2867245 0.81 NPBWR1 (0.40) PDE1BPDE1APDE1CTP53POLB
SCHEMBL2866691 0.81 PIK3R1 (0.40) PDE1BPDE1APDE1CCYP1A2CYP3A4
SCHEMBL2867619 0.79 BCL2 (0.40) ALDH1A1SMN1; SMN2PLA2G10BLMMAPK1
SCHEMBL2865416 0.79 S1PR3 (0.41) PDE1BPDE1APDE1CALDH1A1HSD17B10
SCHEMBL2862981 0.79 PLA2G10 (0.39) PDE1BPDE1APDE1CALDH1A1TP53
SCHEMBL2858941 0.78 GAA (0.38) PDE1BPDE1APDE1CALDH1A1TP53

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 PDE1B 2570/4885PDE1A 3138/4885PDE1C 3343/4885

“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.