SCHEMBL282584

SCHEMBL282584

Cc1c[c]ccc1N1CCN(C(C)C)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
HRH3 Q9Y5N1 4/20 0.36
CYP2D6 P10635 2/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
F12 P00748 1/20 0.33
KHK P50053 1/20 0.32
ADRB1 P08588 1/20 0.32
HDAC4 P56524 1/20 0.32
DRD2 P14416 1/20 0.32
HTR2A P28223 1/20 0.32
HRH1 P35367 1/20 0.32
KDM1A O60341 1/20 0.31

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
SCHEMBL17838712 0.83 KDM4E (0.41) KDM4EALDH1A1MAPTPKMHRH3
SCHEMBL188362 0.81 ADRA2C (0.42) KDM4EALDH1A1MAPTLMNAGAA
SCHEMBL2033939 0.80 ALDH1A1 (0.46) KDM4EALDH1A1MAPTTSHRGAA
SCHEMBL14940417 0.79 ALDH1A3 (0.45) ALDH1A1MAPTPKMLMNAGAA
SCHEMBL27865306 0.78 NCF1 (0.38) KDM4EALDH1A1MAPTPKMHRH3
SCHEMBL16462683 0.77 GAA (0.53) KDM4EALDH1A1MAPTHRH3CYP2D6
SCHEMBL1813837 0.76 AKR1C3 (0.42) KDM4EALDH1A1MAPTTSHRLMNA
SCHEMBL1814799 0.76 ADRB1 (0.58) CYP2D6CYP3A4ADRB1DRD2
SCHEMBL188655 0.75 GAA (0.40) HRH3GAA
SCHEMBL14983590 0.75 ADRB1 (0.56) KDM4EALDH1A1MAPTPKMHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101516860-B Benzoxazoles and oxazolopyridines being useful as FANUS kinases inhibitors NOVARTIS AG 2012-06-27 CN claimed
US-9487491-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2016-11-08 US disclosed
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
EP-3009428-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND Astellas Pharma Inc. (JP) 2016-04-20 EP disclosed
EP-2428508-B9 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC (JP) 2016-04-20 EP disclosed
EP-2428508-B1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC (JP) 2015-12-16 EP disclosed
US-8969336-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2015-03-03 US disclosed
US-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2014-12-18 US disclosed
US-20140303178-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES MSD KK (JP) 2014-10-09 US disclosed
US-20110245229-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES MSD K.K. (JP) 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
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 (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 KDM4E 1692/4885ALDH1A1 871/4885MAPT 4346/4885
US-20110189130-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES WEE1, WEE2, GRK3 KDM4E 956/4885ALDH1A1 755/4885MAPT 4041/4885
US-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 KDM4E 39/4885ALDH1A1 1554/4885MAPT 3116/4885
US-20100063024-A1 Dihydropyrazolopyrimidinone Derivatives WEE1, WEE2, GRK3 KDM4E 956/4885ALDH1A1 755/4885MAPT 4041/4885
US-20070254892-A1 Dihydropyrazolopyrimidinone derivatives WEE1, WEE2, GRK3 KDM4E 956/4885ALDH1A1 755/4885MAPT 4041/4885
US-20140303178-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES WEE1, WEE2, GRK3 KDM4E 956/4885ALDH1A1 755/4885MAPT 4041/4885

“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.