SCHEMBL1814960

SCHEMBL1814960

N#CCCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.59
HTR1A P08908 2/20 0.56
POLB P06746 3/20 0.55
KMT2A Q03164 1/20 0.54
MAPT P10636 2/20 0.54
LMNA P02545 1/20 0.54
KCNJ1 P48048 2/20 0.52
KCNH2 Q12809 2/20 0.52
ALDH1A1 P00352 1/20 0.51
ADRB1 P08588 1/20 0.51

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
SCHEMBL6367321 0.92 SIRT6 (0.56) SIRT6HTR1APOLBKMT2AMAPT
SCHEMBL12431530 0.82 MAPT (0.70) SIRT6HTR1APOLBKMT2AMAPT
SCHEMBL6151796 0.81 SIRT6 (0.64) SIRT6HTR1APOLBKMT2AMAPT
SCHEMBL1045292 0.81 SIRT6 (0.69) SIRT6HTR1APOLBKMT2AMAPT
SCHEMBL2717022 0.81 SIRT6 (0.64) SIRT6HTR1APOLBKMT2AMAPT
SCHEMBL4820552 0.81 SIRT6 (0.64) SIRT6HTR1APOLBKMT2AMAPT
SCHEMBL15599506 0.81 POLB (0.64) SIRT6HTR1APOLBKMT2AMAPT
SCHEMBL4628534 0.81 SIRT6 (0.64) SIRT6HTR1APOLBKMT2AMAPT
SCHEMBL4248033 0.81 SIRT6 (0.64) SIRT6HTR1APOLBKMT2AMAPT
SCHEMBL1991008 0.80 MAPT (0.59) POLBKMT2AMAPTLMNAALDH1A1

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-2017278-B1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE MSD KK (JP) 2016-11-02 EP disclosed
EP-2681221-B1 TRICYCLIC INHIBITORS OF KINASES ABBVIE INC (US) 2016-05-18 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
US-8710065-B2 Tricyclic inhibitors of kinases ABBVIE INC. (US) 2014-04-29 US disclosed
CN-103703005-A Tricyclic inhibitors of kinases ABBOTT LAB 2014-04-02 CN disclosed
EP-2681221-A1 TRICYCLIC INHIBITORS OF KINASES AbbVie Inc. (US) 2014-01-08 EP disclosed
WO-2012161812-A1 TRICYCLIC INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2012-11-29 WO disclosed
US-20120220572-A1 TRICYCLIC INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2012-08-30 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 (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-20110189130-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES WEE1, WEE2, GRK3 SIRT6 2429/4885HTR1A 1237/4885POLB 2875/4885
US-20120220572-A1 TRICYCLIC INHIBITORS OF KINASES WEE1, WEE2, CDK1 SIRT6 3016/4885HTR1A 2664/4885POLB 2089/4885
US-20100063024-A1 Dihydropyrazolopyrimidinone Derivatives WEE1, WEE2, GRK3 SIRT6 2429/4885HTR1A 1237/4885POLB 2875/4885
US-20070254892-A1 Dihydropyrazolopyrimidinone derivatives WEE1, WEE2, GRK3 SIRT6 2429/4885HTR1A 1237/4885POLB 2875/4885
US-20140303178-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES WEE1, WEE2, GRK3 SIRT6 2429/4885HTR1A 1237/4885POLB 2875/4885

“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.