SCHEMBL2874155

SCHEMBL2874155

CCOC(=O)c1[nH]nc(C)c1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.58
HSD17B10 Q99714 2/20 0.48
CDC25B P30305 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HPGD P15428 4/20 0.44
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
HTT P42858 1/20 0.44
RECQL P46063 1/20 0.44
MAPT P10636 1/20 0.43
ALPL P05186 1/20 0.43
ALOX15 P16050 1/20 0.43
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
AURKA O14965 1/20 0.40
MAPK10 P53779 1/20 0.40
RIPK1 Q13546 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL9941259 0.84 KDM4E (0.50) PDE4DHSD17B10CDC25BCYP1A2CYP2C9
SCHEMBL27140315 0.83 PDE4D (0.59) PDE4DHSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL21130898 0.81 PDE4D (0.73) PDE4DHSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL12092823 0.81 MAPT (0.47) PDE4DHSD17B10CDC25BCYP1A2CYP2C9
SCHEMBL6108908 0.80 PDE4D (0.56) PDE4DHSD17B10CDC25BCYP1A2CYP2C9
SCHEMBL18209960 0.80 PDE4D (0.56) PDE4DHSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL15230490 0.80 PDE4D (0.56) PDE4DHSD17B10CDC25BCYP1A2CYP2C9
SCHEMBL2875808 0.80 PDE4D (0.44) PDE4DHSD17B10CDC25BCYP1A2CYP2C9
SCHEMBL23121603 0.79 PDE4D (0.64) PDE4DHSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL13682657 0.78 KDM4E (0.49) PDE4DHSD17B10CDC25BCYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024255697-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND MEDICAL USE THEREOF 中国医药研究开发中心有限公司 2024-12-19 WO disclosed
US-11999699-B2 Substituted pyrazole amides Grünenthal GmbH (DE) 2024-06-04 US disclosed
EP-4355733-A1 SUBSTITUTED PYRAZOLE AMIDES Grünenthal GmbH (DE) 2024-04-24 EP disclosed
US-20230025025-A1 SUBSTITUTED PYRAZOLE AMIDES GRUENENTHAL GMBH (DE) 2023-01-26 US disclosed
WO-2022263498-A1 SUBSTITUTED PYRAZOLE AMIDES Grünenthal GmbH (DE) 2022-12-22 WO disclosed
US-8324216-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2012-12-04 US disclosed
US-8324216-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2012-12-04 US disclosed
US-8324216-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2012-12-04 US disclosed
US-7842693-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2010-11-30 US disclosed
US-7842693-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2010-11-30 US disclosed
US-7157464-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2007-01-02 US disclosed
US-7157464-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2007-01-02 US disclosed
EP-1691810-A1 SUBSTITUTED PIPERAZINES ChemoCentryx Inc (US) 2006-08-23 EP disclosed
US-20060106218-A1 Substituted piperazines CHEMOCENTRYX, INC. (US) 2006-05-18 US disclosed
US-20050256130-A1 Substituted piperazines CHEMOCENTRYX, INC. (US) 2005-11-17 US disclosed
WO-2005056015-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2005-06-23 WO disclosed
EP-1531822-A1 1-ARYL-4-SUBSTITUTED PIPERAZINE DERIVATIVES FOR USE AS CCR1 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATION AND IMMUNE DISORDERS Chemocentryx, Inc. (US) 2005-05-25 EP disclosed
US-20040162282-A1 Substituted piperazines CHEMOCENTRYX, INC. 2004-08-19 US disclosed
US-20040082571-A1 Substituted piperazines CHEMOCENTRYX, INC. (US) 2004-04-29 US disclosed
WO-2003105853-A1 1-ARYL-4-SUBSTITUTED PIPERAZINES DERIVATIVES FOR USE AS CCR1 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATION AND IMMUNE DISORDERS CHEMOCENTRYX, INC. (US) 2003-12-24 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 (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-11999699-B2 Substituted pyrazole amides SCN8A, SCN1A, SCN7A PDE4D 484/4885HSD17B10 2835/4885CDC25B 3422/4885
US-20040082571-A1 Substituted piperazines CCR1, CCR3, CCRL2 PDE4D 3600/4885HSD17B10 3223/4885CDC25B 3126/4885
US-20060106218-A1 Substituted piperazines CCR1, CCR3, CCRL2 PDE4D 2673/4885HSD17B10 3449/4885CDC25B 3110/4885
US-20050256130-A1 Substituted piperazines CCR1, CCR3, CCRL2 PDE4D 2673/4885HSD17B10 3449/4885CDC25B 3110/4885
US-20040162282-A1 Substituted piperazines CCR1, CCR3, CCRL2 PDE4D 3600/4885HSD17B10 3223/4885CDC25B 3126/4885
US-20230025025-A1 SUBSTITUTED PYRAZOLE AMIDES SCN8A, SCN1A, SCN7A PDE4D 484/4885HSD17B10 2835/4885CDC25B 3422/4885

“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.