SCHEMBL1813611

SCHEMBL1813611

Cc1cc([N+](=O)[O-])ccc1NC1CCN(C)CC1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.75
ALDH1A1 P00352 5/20 0.75
CRHBP P24387 2/20 0.75
CRHR2 Q13324 2/20 0.75
LMNA P02545 1/20 0.75
SMN1; SMN2 Q16637 1/20 0.75
PKM P14618 2/20 0.50
RAB9A P51151 2/20 0.50
MAPK1 P28482 1/20 0.50
TAS1R3 Q7RTX0 1/20 0.48
TAS1R1 Q7RTX1 1/20 0.48
TAS1R2 Q8TE23 1/20 0.48
POLB P06746 2/20 0.47
NPC1 O15118 1/20 0.47
TDP1 Q9NUW8 2/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 5/20 0.45
MEN1 O00255 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP1A2 P05177 1/20 0.45

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
SCHEMBL31203067 1.00 MAPT (0.75) MAPTALDH1A1CRHBPCRHR2LMNA
SCHEMBL7711914 0.89 MAPT (0.88) MAPTALDH1A1CRHBPCRHR2LMNA
SCHEMBL1595672 0.86 MAPT (0.65) MAPTALDH1A1CRHBPCRHR2LMNA
SCHEMBL28246789 0.86 MAPT (1.00) MAPTALDH1A1CRHBPCRHR2LMNA
SCHEMBL1594377 0.85 MAPT (0.54) MAPTALDH1A1CRHBPCRHR2LMNA
SCHEMBL3023182 0.85 ALDH1A1 (0.54) MAPTALDH1A1CRHBPCRHR2LMNA
SCHEMBL10035929 0.84 NPSR1 (0.56) MAPTALDH1A1CRHBPCRHR2LMNA
SCHEMBL32685902 0.83 ALDH1A1 (0.69) MAPTALDH1A1CRHBPCRHR2LMNA
SCHEMBL31203024 0.82 MAPT (0.77) MAPTALDH1A1CRHBPCRHR2LMNA
SCHEMBL15696780 0.82 ALDH1A1 (0.51) MAPTALDH1A1CRHBPCRHR2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2017278-B1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE MSD KK (JP) 2016-11-02 EP disclosed
US-20140303178-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES MSD KK (JP) 2014-10-09 US disclosed
US-8791125-B2 Dihydropyrazolopyrimidinone derivatives MSD K.K. (JP) 2014-07-29 US disclosed
CN-101432284-B Dihydropyrazolopyrimidinone derivative MSD KK 2012-08-15 CN disclosed
US-20110189130-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES SAGARA TAKESHI 2011-08-04 US disclosed
US-7935708-B2 Dihydropyrazolopyrimidinone derivatives MSD K.K. (JP) 2011-05-03 US disclosed
US-7834019-B2 Substituted pyrazolo[3,4-d]pyrimidinone derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-11-16 US disclosed
US-20100063024-A1 Dihydropyrazolopyrimidinone Derivatives MERCK SHARP & DOHME LLC 2010-03-11 US disclosed
CN-101432284-A Dihydropyrazolopyrimidinone derivative BANYU PHARMA CO LTD (JP) 2009-05-13 CN disclosed
EP-2017278-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-01-21 EP disclosed
US-20070254892-A1 Dihydropyrazolopyrimidinone derivatives MSD K.K. (JP) 2007-11-01 US 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 (4 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-20110189130-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES WEE1, WEE2, GRK3 MAPT 4041/4885ALDH1A1 755/4885CRHBP 4189/4885
US-20100063024-A1 Dihydropyrazolopyrimidinone Derivatives WEE1, WEE2, GRK3 MAPT 4041/4885ALDH1A1 755/4885CRHBP 4189/4885
US-20070254892-A1 Dihydropyrazolopyrimidinone derivatives WEE1, WEE2, GRK3 MAPT 4041/4885ALDH1A1 755/4885CRHBP 4189/4885
US-20140303178-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES WEE1, WEE2, GRK3 MAPT 4041/4885ALDH1A1 755/4885CRHBP 4189/4885

“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.