SCHEMBL4657166

SCHEMBL4657166

O=C(O)c1ccc(CN2CCOCC2)c(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.51
PDE3A Q14432 2/20 0.51
CYP2C9 P11712 3/20 0.48
ALOX15 P16050 1/20 0.48
HSD17B10 Q99714 1/20 0.48
HIF1A Q16665 1/20 0.46
EPAS1 Q99814 1/20 0.46
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
BRAF P15056 1/20 0.45
GAA P10253 2/20 0.44
ATM Q13315 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NR1H2 P55055 1/20 0.44
DDR1 Q08345 1/20 0.44
HTT P42858 1/20 0.44
MAPT P10636 1/20 0.43

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
Hydrochloric Acid SCHEMBL4904787 0.99 PDE3B (0.50) PDE3BPDE3ACYP2C9ALOX15HSD17B10
SCHEMBL12412597 0.88 PDE3B (0.50) PDE3BPDE3ACYP2C9ALOX15HSD17B10
SCHEMBL2709582 0.88 PDE3B (0.50) PDE3BPDE3ACYP2C9ALOX15HSD17B10
SCHEMBL23648670 0.88 PDE3B (0.50) PDE3BPDE3ACYP2C9ALOX15HSD17B10
SCHEMBL29921818 0.88 PDE3B (0.50) PDE3BPDE3ACYP2C9ALOX15HSD17B10
SCHEMBL18403122 0.88 DDR1 (0.52) CYP2C9HIF1AKDM4EALDH1A1MEN1
SCHEMBL3020407 0.86 CYP2D6 (0.52) CYP2C9HIF1AKDM4EALDH1A1MEN1
SCHEMBL15846857 0.85 MAPK1 (0.51) PDE3BPDE3ACYP2C9ALOX15HSD17B10
SCHEMBL15859994 0.84 DDR1 (0.54) KDM4EALDH1A1MEN1KMT2ABRAF
SCHEMBL2313005 0.84 RET (0.51) KDM4EALDH1A1MEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116761801-A Heterocyclic compounds having protein kinase inhibitory activity, pharmaceutical compositions containing the same, and methods of preparing and using the same 四川科伦博泰生物医药股份有限公司 2023-09-15 CN disclosed
WO-2022188792-A1 HETEROCYCLIC COMPOUND HAVING PROTEIN KINASE INHIBITORY ACTIVITY, PHARMACEUTICAL COMPOSITION COMPRISING SAME, PREPARATION METHOD THEREFOR, AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2022-09-15 WO disclosed
CN-105008355-B Azaindole derivatives as protein kinase inhibitors 奥里巴斯医药公司 2017-08-04 CN disclosed
US-9493455-B2 Azaindole derivatives as inhibitors of protein kinases ORIBASE PHARMA (FR) 2016-11-15 US disclosed
US-9493455-B2 Azaindole derivatives as inhibitors of protein kinases ORIBASE PHARMA (FR) 2016-11-15 US disclosed
US-9493455-B2 Azaindole derivatives as inhibitors of protein kinases ORIBASE PHARMA (FR) 2016-11-15 US disclosed
US-20150353540-A1 AZAINDOLE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES ORIBASE PHARMA (FR) 2015-12-10 US disclosed
US-20150353540-A1 AZAINDOLE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES ORIBASE PHARMA (FR) 2015-12-10 US disclosed
US-20150353540-A1 AZAINDOLE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES ORIBASE PHARMA (FR) 2015-12-10 US disclosed
EP-2938613-A1 AZAINDOLE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES OriBase Pharma (FR) 2015-11-04 EP disclosed
CN-101321754-A Novel compounds II ASTRAZENECA AB (SE) 2008-12-10 CN disclosed
EP-1996594-A2 PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF Wyeth a Corporation of the State of Delaware (US) 2008-12-03 EP disclosed
WO-2008144253-A1 PROTEIN KINASE INHIBITORS AND METHODS FOR USING THEREOF IRM LLC (BM) 2008-11-27 WO disclosed
US-20080255106-A1 Novel 2-Phenyl-Imidazo[4,5-B]Pyridine Derivatives as Inhibitors of Glycogen Synthase Kinase for the Treatment of Dementia and Neurodegenerative Disorders ASTRAZENECA AB (SE) 2008-10-16 US disclosed
US-20080255106-A1 Novel 2-Phenyl-Imidazo[4,5-B]Pyridine Derivatives as Inhibitors of Glycogen Synthase Kinase for the Treatment of Dementia and Neurodegenerative Disorders ASTRAZENECA AB (SE) 2008-10-16 US disclosed
WO-2007109093-A2 PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF WYETH (US) 2007-09-27 WO disclosed
US-20070219186-A1 Pyrazolo[1,5-A]pyrimidine derivatives and methods of use thereof WYETH (US) 2007-09-20 US disclosed
US-20070219186-A1 Pyrazolo[1,5-A]pyrimidine derivatives and methods of use thereof WYETH (US) 2007-09-20 US disclosed
US-20070219186-A1 Pyrazolo[1,5-A]pyrimidine derivatives and methods of use thereof WYETH (US) 2007-09-20 US disclosed
WO-2007040439-A1 NEW COMPOUNDS II ASTRAZENECA AB (SE) 2007-04-12 WO 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 (3 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-20150353540-A1 AZAINDOLE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES MAP3K5, MAP3K3, MAP3K20 PDE3B 838/4885PDE3A 752/4885CYP2C9 3066/4885
US-20080255106-A1 Novel 2-Phenyl-Imidazo[4,5-B]Pyridine Derivatives as Inhibitors of Glycogen Synthase Kinase for the Treatment of Dementia and Neurodegenerative Disorders GSK3B, PYGB, GSK3A PDE3B 509/4885PDE3A 514/4885CYP2C9 2833/4885
US-20070219186-A1 Pyrazolo[1,5-A]pyrimidine derivatives and methods of use thereof DPYD, TYMP, TYMS PDE3B 534/4885PDE3A 423/4885CYP2C9 355/4885

“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.