SCHEMBL2865045

SCHEMBL2865045

COc1cc(OCC(=O)Nc2cc[nH]n2)c2c(c1)[nH]c(=O)c1c(N)n(-c3ccccc3C)nc12

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 7/20 0.36
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 6/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TP53 P04637 1/20 0.34
ALDH1A1 P00352 1/20 0.34
AMY1A P0DUB6 1/20 0.34
THRB P10828 1/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL2868304 0.90 THRB (0.35) NOTUMMEN1KMT2AMAPTALDH1A1
SCHEMBL13025413 0.89 NPC1 (0.38) NOTUMNPC1RAB9AMEN1KMT2A
SCHEMBL13025356 0.88 KDM4E (0.39) KMT2ASMN1; SMN2THRBPOLB
SCHEMBL2863760 0.87 MPO (0.37) KMT2ASMN1; SMN2THRBPOLB
SCHEMBL2860172 0.85 ALDH1A1 (0.40) MEN1KMT2AMAPTSMN1; SMN2TP53
SCHEMBL2867575 0.83 TDP1 (0.32) MAPTTP53ALDH1A1THRBPOLB
SCHEMBL2861203 0.83 HDAC1 (0.38) SMN1; SMN2THRBLMNA
SCHEMBL2863014 0.83 PDE3B (0.36)
SCHEMBL2863158 0.83 ABCG2 (0.43) KMT2AMAPTTP53ALDH1A1LMNA
SCHEMBL2869345 0.83 BRD4 (0.38) KMT2A

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 NOTUM 4070/4885NPC1 4617/4885RAB9A 3594/4885

“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.