SCHEMBL1811536

SCHEMBL1811536

Cc1c[c]ccc1N1CCS(=O)(=O)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 5/20 0.36
NPC1 O15118 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
ALDH1A3 P47895 2/20 0.32
FAAH O00519 2/20 0.32
ADRB1 P08588 1/20 0.32
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
NR4A1 P22736 1/20 0.30
PTK2B Q14289 1/20 0.30
JAK2 O60674 1/20 0.30
JAK3 P52333 1/20 0.30

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
SCHEMBL1811539 0.83 ADRB1 (0.32) MEN1KMT2AALDH1A1ADRB1GAA
SCHEMBL188362 0.81 ADRA2C (0.42) KMT2AKDM4EALDH1A1ADRB1GAA
SCHEMBL2033939 0.80 ALDH1A1 (0.46) MEN1KMT2AKDM4EALDH1A1NPC1
SCHEMBL14940417 0.79 ALDH1A3 (0.45) MEN1KMT2AALDH1A1ALDH1A3ADRB1
SCHEMBL27677143 0.76 KMT2A (0.41) KMT2AKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL1813837 0.76 AKR1C3 (0.42) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL1814799 0.76 ADRB1 (0.58) CYP1A2CYP3A4CYP2C9CYP2C19ADRB1
SCHEMBL3436363 0.75 ADRB1 (0.56) KMT2AALDH1A1ADRB1
SCHEMBL188544 0.75 SLC18A3 (0.38) MEN1KMT2AKDM4EALDH1A1ADRB1
SCHEMBL1810780 0.74 ALDH1A1 (0.55) KMT2AKDM4EALDH1A1GAAMAPT

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 18 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-2376493-B1 DIHYDROPYRIMIDOPYRIMIDINE DERIVATIVE MSD KK (JP) 2016-10-05 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-8575179-B2 Dihydropyrazolopyrimidinone derivatives MSD K.K. (JP) 2013-11-05 US disclosed
US-8507505-B2 Dihydropyrazolopyrimidinone derivative MSD K.K. (JP) 2013-08-13 US disclosed
EP-2376494-A1 DIHYDROPYRIMIDOPYRIMIDINE DERIVATIVES MSD K.K. (JP) 2011-10-19 EP disclosed
EP-2376493-A1 DIHYDROPYRIMIDOPYRIMIDINE DERIVATIVE MSD K.K. (JP) 2011-10-19 EP disclosed
US-20110245229-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES MSD K.K. (JP) 2011-10-06 US disclosed
US-20110243891-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE MSD K.K. 2011-10-06 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
WO-2010067886-A1 DIHYDROPYRIMIDOPYRIMIDINE DERIVATIVE BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-06-17 WO disclosed
WO-2010067888-A1 DIHYDROPYRIMIDOPYRIMIDINE DERIVATIVES BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-06-17 WO 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-20110245229-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES WEE2, WEE1, CDKL1 MEN1 2019/4885KMT2A 2298/4885KDM4E 1692/4885
US-20110189130-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES WEE1, WEE2, GRK3 MEN1 2199/4885KMT2A 1433/4885KDM4E 956/4885
US-20100063024-A1 Dihydropyrazolopyrimidinone Derivatives WEE1, WEE2, GRK3 MEN1 2199/4885KMT2A 1433/4885KDM4E 956/4885
US-20070254892-A1 Dihydropyrazolopyrimidinone derivatives WEE1, WEE2, GRK3 MEN1 2199/4885KMT2A 1433/4885KDM4E 956/4885
US-20110243891-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE WEE2, WEE1, RPS6KA1 MEN1 2224/4885KMT2A 2167/4885KDM4E 1397/4885
US-20140303178-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES WEE1, WEE2, GRK3 MEN1 2199/4885KMT2A 1433/4885KDM4E 956/4885

“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.