SCHEMBL2867439

SCHEMBL2867439

Cc1cc(C)c(-n2nc3c(c2N)c(=O)[nH]c2cc(OCCO)ccc23)cc1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.40
PARP1 P09874 4/20 0.36
PDE2A O00408 3/20 0.35
TIPARP Q7Z3E1 2/20 0.34
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
P2RY12 Q9H244 1/20 0.33
CCNK O75909 1/20 0.33
CCND3 P30281 1/20 0.33
GSK3B P49841 1/20 0.33
CDK7 P50613 1/20 0.33
CDK9 P50750 1/20 0.33
CCNH P51946 1/20 0.33
CDK6 Q00534 1/20 0.33
CDK12 Q9NYV4 1/20 0.33
NR1I2 O75469 1/20 0.32
CHEK1 O14757 2/20 0.32
DYRK1A Q13627 1/20 0.32
PPARA Q07869 1/20 0.31
DHODH Q02127 1/20 0.31

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
SCHEMBL2864429 0.89 MAOA (0.40) MAOAPARP1PDE2ATIPARPPDE3B
SCHEMBL2871146 0.89 MAOA (0.36) MAOAPARP1PDE2ATIPARPCCNK
SCHEMBL13025335 0.89 ADORA2A (0.35) PDE2ACHEK1EGFR
SCHEMBL2870529 0.85 MAOA (0.35) MAOAPARP1PDE2ATIPARPCCNK
SCHEMBL2861675 0.84 PDE2A (0.42) MAOAPARP1PDE2ATIPARPCCNK
SCHEMBL2871110 0.82 MAOA (0.40) MAOAPARP1PDE2ATIPARPDYRK1A
SCHEMBL2868746 0.81 CHEK1 (0.45) CHEK1
SCHEMBL2860215 0.79 PDE2A (0.41) MAOAPARP1PDE2ADYRK1A
SCHEMBL2868584 0.79 KMT2A (0.37) PDE2ADYRK1A
SCHEMBL2867281 0.79 GAA (0.37) PDE2APPARA

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 MAOA 2993/4885PARP1 2258/4885PDE2A 2228/4885

“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.