SCHEMBL1813843

SCHEMBL1813843

O=C1CCCN1c1ccc[c]n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.40
PARP1 P09874 2/20 0.40
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TSHR P16473 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
AKR1C3 P42330 1/20 0.35
GAA P10253 2/20 0.35
CES1 P23141 2/20 0.34
HSD17B10 Q99714 1/20 0.34
IDH1 O75874 1/20 0.34
CYP11B1 P15538 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
SCHEMBL12615285 0.95 PARP1 (0.39) CNR2PARP1ALDH1A1HPGDCYP1A2
SCHEMBL2931849 0.73 ALDH1A1 (0.39) CNR2PARP1ALDH1A1HPGDCYP1A2
SCHEMBL15416153 0.73 ALDH1A1 (0.42) CNR2PARP1ALDH1A1HPGDCYP1A2
SCHEMBL8790012 0.72 CRBN (0.57) CNR2PARP1TSHRMEN1KMT2A
SCHEMBL31334611 0.72 CRBN (0.57) CNR2PARP1TSHRMEN1KMT2A
SCHEMBL1811111 0.72 SCN9A (0.35) MEN1KMT2A
SCHEMBL20687962 0.71 PARP1 (0.49) CNR2PARP1ALDH1A1HPGDCYP1A2
SCHEMBL1581515 0.71 CYP1A2 (0.37) CNR2ALDH1A1HPGDCYP1A2TSHR
SCHEMBL23967004 0.70 PARP1 (0.48) CNR2PARP1ALDH1A1HPGDCYP1A2
SCHEMBL19994372 0.70 PARP1 (0.48) CNR2PARP1ALDH1A1HPGDCYP1A2

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9321756-B2 Azole compounds as PIM inhibitors AMGEN INC. (US) 2016-04-26 US claimed
US-9090593-B2 Bicyclic compounds as Pim inhibitors AMGEN INC. (US) 2015-07-28 US claimed
EP-2796456-A1 Bicyclic compounds as Pim inhibitors Amgen Inc. (US) 2014-10-29 EP claimed
US-20140187553-A1 Azole Compounds as PIM Inhibitors AMGEM INC. (US) 2014-07-03 US claimed
US-20140031360-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2014-01-30 US claimed
EP-2649065-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS Amgen Inc. (US) 2013-10-16 EP claimed
WO-2012078777-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2012-06-14 WO claimed
EP-2017278-B1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE MSD KK (JP) 2016-11-02 EP disclosed
US-9321756-B2 Azole compounds as PIM inhibitors AMGEN INC. (US) 2016-04-26 US disclosed
US-9090593-B2 Bicyclic compounds as Pim inhibitors AMGEN INC. (US) 2015-07-28 US disclosed
EP-2796456-A1 Bicyclic compounds as Pim inhibitors Amgen Inc. (US) 2014-10-29 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
EP-2016080-B1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES BANYU PHARMA CO LTD (JP) 2010-07-28 EP disclosed
US-20100063024-A1 Dihydropyrazolopyrimidinone Derivatives MERCK SHARP & DOHME LLC 2010-03-11 US disclosed
EP-2016080-A4 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES BANYU PHARMA CO LTD (JP) 2009-05-13 EP disclosed
EP-2016080-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-01-21 EP disclosed
EP-2017278-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-01-21 EP disclosed
WO-2007126122-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-11-08 WO 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 (5 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-20100063024-A1 Dihydropyrazolopyrimidinone Derivatives WEE1, WEE2, GRK3 CNR2 1535/4885PARP1 418/4885ALDH1A1 755/4885
US-20140187553-A1 Azole Compounds as PIM Inhibitors PIM1, PIM3, PIM2 CNR2 4124/4885PARP1 873/4885ALDH1A1 467/4885
US-20140031360-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS PIM1, PIM2, PIM3 CNR2 4380/4885PARP1 186/4885ALDH1A1 502/4885
US-20070254892-A1 Dihydropyrazolopyrimidinone derivatives WEE1, WEE2, GRK3 CNR2 1535/4885PARP1 418/4885ALDH1A1 755/4885
US-20140303178-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES WEE1, WEE2, GRK3 CNR2 1535/4885PARP1 418/4885ALDH1A1 755/4885

“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.