SCHEMBL1811945

SCHEMBL1811945

CCN1CCN(c2ccc([N+](=O)[O-])cc2CO)CC1

nearest known ligand 0.82

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.63
LMNA P02545 8/20 0.59
GAA P10253 2/20 0.59
MAPT P10636 6/20 0.55
KMT2A Q03164 3/20 0.50
HPGD P15428 1/20 0.50
KDM4E B2RXH2 1/20 0.50
WDR5 P61964 1/20 0.49
MEN1 O00255 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL1971542 0.86 ALDH1A1 (0.57) ALDH1A1LMNAGAAKMT2AKDM4E
SCHEMBL16824876 0.85 ALDH1A1 (0.67) ALDH1A1LMNAGAAMAPTKMT2A
SCHEMBL18186178 0.83 ALDH1A1 (0.53) ALDH1A1LMNAGAAMAPTKMT2A
SCHEMBL10293498 0.83 ALDH1A1 (0.69) ALDH1A1LMNAGAAMAPTKMT2A
SCHEMBL3401900 0.82 ALDH1A1 (0.64) ALDH1A1LMNAGAAMAPTKMT2A
SCHEMBL32688958 0.82 ALDH1A1 (0.64) ALDH1A1LMNAGAAMAPTKMT2A
SCHEMBL27997065 0.82 GAA (0.67) ALDH1A1LMNAGAAMAPTKMT2A
SCHEMBL12006453 0.82 LMNA (0.58) ALDH1A1LMNAGAAKMT2AKDM4E
SCHEMBL16570120 0.82 LMNA (0.57) ALDH1A1LMNAGAAMAPTKMT2A
SCHEMBL17958742 0.82 LMNA (0.57) ALDH1A1LMNAGAAMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3604306-A1 MACROCYCLIC DERIVATIVE OF PYRAZOL[3,4-D]PYRIMIDIN-3-ONE, PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai de Novo Pharmatech Co., Ltd. (CN) 2020-02-05 EP disclosed
US-9850247-B2 Pyrimidopyrimidinones useful as Wee-1 kinase inhibitors ALMAC HOUSE (GB) 2017-12-26 US disclosed
EP-3083625-B1 PYRIMIDOPYRIMIDINONES USEFUL AS WEE-1 KINASE INHIBITORS ALMAC DISCOVERY LTD (GB) 2017-11-01 EP disclosed
US-20160318936-A1 PYRIMIDOPYRIMIDINONES USEFUL AS WEE-1 KINASE INHIBITORS ALMAC DISCOVERY LIMITED (GB) 2016-11-03 US disclosed
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
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-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-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
US-20100063024-A1 Dihydropyrazolopyrimidinone Derivatives MERCK SHARP & DOHME LLC 2010-03-11 US 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 (6 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 ALDH1A1 755/4885LMNA 3734/4885GAA 3719/4885
US-20100221211-A1 PYRIDONE-SUBSTITUTED-DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE WEE1, WEE2, CCNE1 ALDH1A1 2764/4885LMNA 1108/4885GAA 4624/4885
US-20160318936-A1 PYRIMIDOPYRIMIDINONES USEFUL AS WEE-1 KINASE INHIBITORS WEE1, WEE2, NME1 ALDH1A1 1940/4885LMNA 3631/4885GAA 1730/4885
US-20100063024-A1 Dihydropyrazolopyrimidinone Derivatives WEE1, WEE2, GRK3 ALDH1A1 755/4885LMNA 3734/4885GAA 3719/4885
US-20070254892-A1 Dihydropyrazolopyrimidinone derivatives WEE1, WEE2, GRK3 ALDH1A1 755/4885LMNA 3734/4885GAA 3719/4885
US-20140303178-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES WEE1, WEE2, GRK3 ALDH1A1 755/4885LMNA 3734/4885GAA 3719/4885

“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.