SCHEMBL573354

SCHEMBL573354

CC(C)(C)OC(=O)NN=C1CCCC1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.63
KMT2A Q03164 2/20 0.63
KDM4E B2RXH2 5/20 0.53
RAB9A P51151 1/20 0.53
RXFP1 Q9HBX9 1/20 0.44
POLB P06746 2/20 0.42
RECQL P46063 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MIF P14174 1/20 0.41

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
SCHEMBL182243 0.98 ALDH1A1 (0.61) ALDH1A1KMT2AKDM4ERAB9ARXFP1
SCHEMBL12779155 0.98 ALDH1A1 (0.61) ALDH1A1KMT2AKDM4ERAB9ARXFP1
SCHEMBL272269 0.96 ALDH1A1 (0.63) ALDH1A1KMT2AKDM4ERAB9ARXFP1
SCHEMBL6694683 0.92 ALDH1A1 (0.56) ALDH1A1KMT2AKDM4ERAB9ARXFP1
SCHEMBL16121924 0.85 ALDH1A1 (0.56) ALDH1A1KMT2AKDM4ERAB9ARECQL
SCHEMBL23782299 0.85 KDM4E (0.54) ALDH1A1KMT2AKDM4ERAB9A
SCHEMBL26177824 0.85 KDM4E (0.54) ALDH1A1KMT2AKDM4ERAB9A
SCHEMBL23782301 0.85 KDM4E (0.54) ALDH1A1KMT2AKDM4ERAB9A
SCHEMBL2672312 0.84 KMT2A (0.58) ALDH1A1KMT2AKDM4ERAB9ARECQL
SCHEMBL3490122 0.84 ALDH1A1 (0.58) ALDH1A1KMT2AKDM4ERAB9ARECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11090288-B2 Pyrazole derivatives and their uses thereof UNIVERSITY HEALTH NETWORK (CA) 2021-08-17 US disclosed
US-20190022066-A1 PYRAZOLE DERIVATIVES AND THEIR USES THEREOF UNIVERSITY HEALTH NETWORK (CA) 2019-01-24 US disclosed
EP-2970138-B1 PYRAZOLE DERIVATIVES AND THEIR USES THEREOF CANADIAN BLOOD SERVICES (CA) 2019-01-16 EP disclosed
US-9796716-B2 Selective inhibitors of Tec and Src protein kinase families PHARMASCIENCE, INC. (CA) 2017-10-24 US disclosed
US-9796716-B2 Selective inhibitors of Tec and Src protein kinase families PHARMASCIENCE, INC. (CA) 2017-10-24 US disclosed
US-20160022640-A1 PYRAZOLE DERIVATIVES AND THEIR USES THEREOF CANADIAN BLOOD SERVICES (CA) 2016-01-28 US disclosed
US-20150191473-A1 PROTEIN KINASE INHIBITORS PHARMASCIENCE, INC. (CA) 2015-07-09 US disclosed
US-20150191473-A1 PROTEIN KINASE INHIBITORS PHARMASCIENCE, INC. (CA) 2015-07-09 US disclosed
WO-2014138979-A1 PYRAZOLE DERIVATIVES AND THEIR USES THEREOF CANADIAN BLOOD SERVICES (CA) 2014-09-18 WO disclosed
WO-2013177668-A1 PROTEIN KINASE INHIBITORS PHARMASCIENCE, INC. (CA) 2013-12-05 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
US-20070232591-A1 Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues NEUROGEN CORPORATION 2007-10-04 US disclosed
US-20070232591-A1 Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues NEUROGEN CORPORATION 2007-10-04 US disclosed
WO-2007106349-A2 PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2007-09-20 WO disclosed
US-20060252780-A1 Fused pyrimidine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-11-09 US disclosed
EP-1637532-A1 FUSED PYRIMIDINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-03-22 EP disclosed
WO-2004096811-A1 PDE9 INHIBITORS FOR TREATING TYPE 2 DIABETES, METABOKIC SYNDROME, AND CARDIOVASCULAR DISEASE PFIZER PRODUCTS INC. (US) 2004-11-11 WO disclosed
US-20040220186-A1 PDE9 inhibitors for treating type 2 diabetes,metabolic syndrome, and cardiovascular disease PFIZER INC. 2004-11-04 US disclosed
US-5541187-A HYPOTENSIVE AGENTS STERLING WINTHROP INC. (US) 1996-07-30 US disclosed
US-5294612-A Hypotensive agents and cardiovascular disorders STERLING WINTHROP INC. (US) 1994-03-15 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 (8 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-20060252780-A1 Fused pyrimidine derivatives INSR, GPR119, NPY4R ALDH1A1 3942/4885KMT2A 3727/4885KDM4E 1514/4885
US-11090288-B2 Pyrazole derivatives and their uses thereof SSB, HLA-DRB1, U2AF1 ALDH1A1 1195/4885KMT2A 3993/4885KDM4E 3392/4885
US-20160022640-A1 PYRAZOLE DERIVATIVES AND THEIR USES THEREOF SSB, HLA-DRB1, U2AF1 ALDH1A1 890/4885KMT2A 4118/4885KDM4E 3591/4885
US-20070232591-A1 Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues HRH3, HRH4, HRH1 ALDH1A1 1229/4885KMT2A 566/4885KDM4E 2634/4885
US-20190022066-A1 PYRAZOLE DERIVATIVES AND THEIR USES THEREOF SSB, HLA-DRB1, U2AF1 ALDH1A1 1195/4885KMT2A 3993/4885KDM4E 3392/4885
US-20040220186-A1 PDE9 inhibitors for treating type 2 diabetes,metabolic syndrome, and cardiovascular disease PDE9A, PDE2A, PDE12 ALDH1A1 474/4885KMT2A 2217/4885KDM4E 1745/4885
US-20080261965-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFIC DISEASES AND OTHER PROLIFERATIVE DISEASES KIT, PRKACA, BRAF ALDH1A1 2292/4885KMT2A 658/4885KDM4E 1040/4885
US-20150191473-A1 PROTEIN KINASE INHIBITORS TEC, SRC, LCK ALDH1A1 4521/4885KMT2A 1665/4885KDM4E 1338/4885

“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.