SCHEMBL2884783

SCHEMBL2884783

CN(Cc1ccccn1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 2/20 0.58
CRHR2 Q13324 2/20 0.58
POLB P06746 2/20 0.57
MAPT P10636 3/20 0.49
KMT2A Q03164 5/20 0.48
L3MBTL1 Q9Y468 4/20 0.48
MEN1 O00255 3/20 0.45
LMNA P02545 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ALDH1A1 P00352 1/20 0.45
ATM Q13315 1/20 0.45
TLR9 Q9NR96 1/20 0.45
PKM P14618 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
LIN28A Q9H9Z2 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL6795581 0.86 POLB (0.73) CRHBPCRHR2POLBMAPTKMT2A
SCHEMBL18741270 0.85 KMT2A (0.50) CRHBPCRHR2POLBMAPTKMT2A
SCHEMBL6758179 0.83 POLB (0.77) CRHBPCRHR2POLBMAPTKMT2A
SCHEMBL3714384 0.81 KMT2A (0.56) CRHBPCRHR2POLBKMT2AL3MBTL1
SCHEMBL3714383 0.81 KMT2A (0.56) CRHBPCRHR2POLBKMT2AL3MBTL1
SCHEMBL10361593 0.80 TDP1 (0.55) POLBMAPTKMT2AALDH1A1SMN1; SMN2
SCHEMBL11622734 0.79 KMT2A (0.50) CRHBPCRHR2POLBMAPTKMT2A
SCHEMBL2886500 0.77 L3MBTL1 (0.51) POLBMAPTKMT2AL3MBTL1SMN1; SMN2
SCHEMBL6611918 0.77 CRHBP (0.88) CRHBPCRHR2POLBMAPTKMT2A
SCHEMBL3151107 0.76 KDM4E (0.67) CRHBPCRHR2POLBKMT2AL3MBTL1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2213673-B1 PYRIDONE-SUBSTITUTED-DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE MSD KK (JP) 2013-06-05 EP disclosed
EP-2213673-B1 PYRIDONE-SUBSTITUTED-DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE MSD KK (JP) 2013-06-05 EP disclosed
US-8329711-B2 Pyridone-substituted-dihydropyrazolopyrimidinone derivative MSD K.K. (JP) 2012-12-11 US disclosed
US-8329711-B2 Pyridone-substituted-dihydropyrazolopyrimidinone derivative MSD K.K. (JP) 2012-12-11 US disclosed
US-8329711-B2 Pyridone-substituted-dihydropyrazolopyrimidinone derivative MSD K.K. (JP) 2012-12-11 US disclosed
US-20100221211-A1 PYRIDONE-SUBSTITUTED-DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE MSD K.K. (JP) 2010-09-02 US disclosed
US-20100221211-A1 PYRIDONE-SUBSTITUTED-DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE MSD K.K. (JP) 2010-09-02 US disclosed
US-20100221211-A1 PYRIDONE-SUBSTITUTED-DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE MSD K.K. (JP) 2010-09-02 US disclosed
EP-2213673-A1 PYRIDONE-SUBSTITUTED-DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE Banyu Pharmaceutical Co., Ltd. (JP) 2010-08-04 EP disclosed
EP-2213673-A1 PYRIDONE-SUBSTITUTED-DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE Banyu Pharmaceutical Co., Ltd. (JP) 2010-08-04 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-20100221211-A1 PYRIDONE-SUBSTITUTED-DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE WEE1, WEE2, CCNE1 CRHBP 4287/4885CRHR2 2245/4885POLB 2558/4885

“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.