SCHEMBL573457

SCHEMBL573457

CCOC(=O)c1cn(C(C)C)nc1C

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 6/20 0.51
ADORA1 P30542 6/20 0.51
ADORA2A P29274 5/20 0.51
TSHR P16473 2/20 0.44
MAPT P10636 3/20 0.41
NR1H2 P55055 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 4/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 2/20 0.40
DCTPP1 Q9H773 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
BAZ2B Q9UIF8 1/20 0.40
BAZ2A Q9UIF9 1/20 0.40
MEN1 O00255 1/20 0.40
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL1268446 0.86 ADORA3 (0.50) ADORA3ADORA1ADORA2ATSHRMAPT
SCHEMBL20028548 0.86 TSHR (0.43) ADORA3ADORA1ADORA2ATSHRMAPT
SCHEMBL25298961 0.84 ADORA3 (0.49) ADORA3ADORA1ADORA2ATSHRMAPT
SCHEMBL20098494 0.84 ADORA3 (0.55) ADORA3ADORA1ADORA2ATSHRMAPT
SCHEMBL2671684 0.84 ADORA3 (0.49) ADORA3ADORA1ADORA2ATSHRMAPT
SCHEMBL841373 0.83 SMN1; SMN2 (0.39) ADORA3ADORA1ADORA2AMAPTKDM4E
SCHEMBL21963326 0.83 ADORA3 (0.48) ADORA3ADORA1ADORA2ATSHRNR1H2
SCHEMBL24978324 0.83 ADORA3 (0.45) ADORA3ADORA1ADORA2ATSHRMAPT
SCHEMBL574351 0.81 KDM4E (0.48) ADORA3ADORA1ADORA2ATSHRKDM4E
SCHEMBL2927479 0.80 MAPK1 (0.59) ADORA3ADORA1ADORA2ATSHRMAPT

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
US-20220259193-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2022-08-18 US disclosed
EP-3962481-A1 KCNT1 INHIBITORS AND METHODS OF USE Praxis Precision Medicines, Inc. (US) 2022-03-09 EP disclosed
WO-2020227101-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2020-11-12 WO disclosed
EP-3087058-B1 PROCESS FOR THE REGIOSELECTIVE SYNTHESIS OF PYRAZOLES ISAGRO SPA (IT) 2017-09-06 EP disclosed
EP-3087058-B1 PROCESS FOR THE REGIOSELECTIVE SYNTHESIS OF PYRAZOLES ISAGRO SPA (IT) 2017-09-06 EP disclosed
US-9676726-B2 Process for the regioselective synthesis of pyrazoles ISAGRO S.P.A. (IT) 2017-06-13 US disclosed
US-9676726-B2 Process for the regioselective synthesis of pyrazoles ISAGRO S.P.A. (IT) 2017-06-13 US disclosed
US-9676726-B2 Process for the regioselective synthesis of pyrazoles ISAGRO S.P.A. (IT) 2017-06-13 US disclosed
US-20160318874-A1 PROCESS FOR THE REGIOSELECTIVE SYNTHESIS OF PYRAZOLES FMC IP TECHNOLOGY GMBH (CH) 2016-11-03 US disclosed
US-20160318874-A1 PROCESS FOR THE REGIOSELECTIVE SYNTHESIS OF PYRAZOLES FMC IP TECHNOLOGY GMBH (CH) 2016-11-03 US disclosed
US-20160318874-A1 PROCESS FOR THE REGIOSELECTIVE SYNTHESIS OF PYRAZOLES FMC IP TECHNOLOGY GMBH (CH) 2016-11-03 US disclosed
WO-2015097658-A1 PROCESS FOR THE REGIOSELECTIVE SYNTHESIS OF PYRAZOLES ISAGRO S.P.A. (IT) 2015-07-02 WO disclosed
US-8143293-B2 disease caused by c-Abl kinase, c-Kit kinase, oncogenic forms, aberrant fusion proteins and polymorphs; 1-(3-t-butylisoxazol-5-yl)-3-(2-fluoro-4-(2-(1-methyl-1H-pyrazol-4-yl)pyridin-4-yloxy)phenyl)urea DECIPHERA PHARMACEUTICALS, LLC (US) 2012-03-27 US disclosed
WO-2012019015-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF MYELOPROLIFERATIVE DISEASES AND OTHER PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2012-02-09 WO disclosed
US-20110189167-A1 Methods and Compositions for the Treatment of Myeloproliferative Diseases and other Proliferative Diseases DECIPHERA PHARMACEUTICALS, LLC 2011-08-04 US disclosed
EP-2146716-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFERATIVE DISEASES AND OTHER PROLIFERATIVE DISEASES Deciphera Pharmaceuticals, LLC. (US) 2010-01-27 EP disclosed
WO-2008131227-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFERATIVE DISEASES AND OTHER PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2008-10-30 WO disclosed
US-20080261965-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFIC DISEASES AND OTHER PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2008-10-23 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 (4 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-20110189167-A1 Methods and Compositions for the Treatment of Myeloproliferative Diseases and other Proliferative Diseases MCL1, NRAS, ABL1 ADORA3 4701/4885ADORA1 4769/4885ADORA2A 4138/4885
US-20160318874-A1 PROCESS FOR THE REGIOSELECTIVE SYNTHESIS OF PYRAZOLES CYP4F11, CYP2F1, CYP3A4 ADORA3 2924/4885ADORA1 2946/4885ADORA2A 3646/4885
US-20080261965-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFIC DISEASES AND OTHER PROLIFERATIVE DISEASES KIT, PRKACA, BRAF ADORA3 3605/4885ADORA1 4520/4885ADORA2A 3736/4885
US-20220259193-A1 KCNT1 INHIBITORS AND METHODS OF USE KCNT1, KCNT2, KCNQ2 ADORA3 1548/4885ADORA1 1376/4885ADORA2A 2022/4885

“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.