SCHEMBL1665498

SCHEMBL1665498

Cc1nc2c(C)ccnc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.42
CCR1 P32246 2/20 0.40
CCR5 P51681 2/20 0.40
CCR8 P51685 2/20 0.40
ADORA3 P0DMS8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
CCNB2 O95067 3/20 0.35
CDK1 P06493 3/20 0.35
CCNB1 P14635 3/20 0.35
GSK3A P49840 3/20 0.35
GSK3B P49841 3/20 0.35
CDK5 Q00535 3/20 0.35
CDK5R1 Q15078 3/20 0.35
CCNB3 Q8WWL7 3/20 0.35
NOS3 P29474 2/20 0.34
NOS2 P35228 2/20 0.34
CYP2A6 P11509 1/20 0.34
PRKCI P41743 1/20 0.34
HTR1A P08908 1/20 0.33
ADRA1D P25100 1/20 0.33

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
SCHEMBL1058944 0.82 CCNB2 (0.38) PARP1ADORA3CCNB2CDK1CCNB1
SCHEMBL29487153 0.80 PARP1 (0.45) PARP1ADORA3CCNB2CDK1CCNB1
SCHEMBL12778304 0.80 CCR1 (0.38) CCR1CCR5CCR8L3MBTL1CCNB2
SCHEMBL8558723 0.80 PSMD14 (0.38) CCR1CCR5CCR8L3MBTL1CCNB2
SCHEMBL20449743 0.80 DAO (0.42) PARP1ADORA3CCNB2CDK1CCNB1
SCHEMBL4753601 0.80 PARP1 (0.45) PARP1ADORA3CCNB2CDK1CCNB1
SCHEMBL21620891 0.80 NOS3 (0.41) CCR1CCR5CCR8CCNB2CDK1
SCHEMBL21620456 0.80 CCNB2 (0.40) CCR1CCR5CCR8L3MBTL1CCNB2
SCHEMBL4362603 0.78 KDM4C (0.42) CCR1CCR5CCR8L3MBTL1CCNB2
SCHEMBL22304188 0.77 GSK3A (0.36) PARP1ADORA3CCNB2CDK1CCNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230271953-A1 Novel compounds for treatment of diseases related to DUX4 expression Facio Intellectual Property B.V. (NL) 2023-08-31 US disclosed
WO-2020012357-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE INTEGRAL BIOSCIENCES PVT. LTD. (IN) 2020-01-16 WO disclosed
US-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-04-07 US disclosed
US-8586623-B2 2-oxo-1-pyrrolidine derivatives, processes for preparing them and their uses UCB PHARMA, S.A. (BE) 2013-11-19 US disclosed
EP-1891042-B1 2-OXO-1-PYRROLIDINE DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR THERAPEUTIC USE ON THE CENTRAL NERVOUS SYSTEM UCB PHARMA SA (BE) 2013-10-02 EP disclosed
US-8518943-B2 2-oxo-1-pyrrolidine derivatives, processes for preparing them and their uses UCB PHARMA, S.A. (BE) 2013-08-27 US disclosed
US-8507484-B2 Preventive and/or therapeutic agent for neutrophilic inflammatory diseases KYOWA HAKKO KIRIN CO., LTD. (JP) 2013-08-13 US disclosed
US-20120214815-A1 2-Oxo-1-Pyrrolidine Derivatives, Processes for Preparing Them and Their Uses UCB PHARMA, S.A. (BE) 2012-08-23 US disclosed
US-20120196866-A1 2-Oxo-1-Pyrrolidine Derivatives, Processes for Preparing Them and Their Uses UCB PHARMA, S.A. (BE) 2012-08-02 US disclosed
US-8183241-B2 2-oxo-1-pyrrolidine derivatives UCB PHARMA, S.A. (BE) 2012-05-22 US disclosed
EP-2308867-A2 2-oxo-1-pyrrolidine deriatives, processes for preparing them and their uses UCB Pharma S.A. (BE) 2011-04-13 EP disclosed
EP-2308870-A2 2-oxo-1-pyrrolidine deriatives, processes for preparing them and their uses UCB Pharma S.A. (BE) 2011-04-13 EP disclosed
US-20090312333-A1 2-Oxo-1-Pyrrolidine Derivatives, Processes for Preparing Them and Their Uses UCB PHARMA, S.A. (BE) 2009-12-17 US disclosed
US-20090156607-A1 2-OXO-1-PYRROLIDINE DERIVATIVES UCB, S.A. (BE) 2009-06-18 US disclosed
EP-1891042-A2 2-OXO-1-PYRROLIDINE DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR THERAPEUTIC USE ON THE CENTRAL NERVOUS SYSTEM UCB Pharma, S.A. (BE) 2008-02-27 EP disclosed
US-20070213361-A1 Preventive and/or therapeutic agent for neutrophilic inflammatory diseases KYOWA KIRIN CO., LTD. (JP) 2007-09-13 US disclosed
WO-2006128693-A2 2 -OXO-I -PYRROLIDINE DERIVATIVES/ PROCESSES FOR PREPARING THEM AND THEIR THERAPEUTIC USE ON THE CENTRAL NERVOUS SYSTEM UCB PHARMA, S.A. (BE) 2006-12-07 WO disclosed
EP-1724271-A1 PREVENTIVE AND/OR THERAPEUTIC AGENT FOR NEUTROPHILIC INFLAMMATION DISEASE KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-11-22 EP disclosed
WO-2005082414-A2 CONCOMITANT DRUGS OF A SULFONAMIDE AND ANOTHER THERAPEUTIC AGENT ASTELLAS PHARMA INC. (JP) 2005-09-09 WO disclosed
US-20050197376-A1 Concomitant drugs FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-09-08 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 (7 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-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN PARP1 1379/4885CCR1 2353/4885CCR5 843/4885
US-20230271953-A1 Novel compounds for treatment of diseases related to DUX4 expression UTRN, ZFX, CBX6 PARP1 2112/4885CCR1 4108/4885CCR5 3768/4885
US-20120214815-A1 2-Oxo-1-Pyrrolidine Derivatives, Processes for Preparing Them and Their Uses CYP3A4, CYP1B1, CYP2D6 PARP1 174/4885CCR1 1845/4885CCR5 1371/4885
US-20090312333-A1 2-Oxo-1-Pyrrolidine Derivatives, Processes for Preparing Them and Their Uses CYP3A4, CYP1B1, CYP2D6 PARP1 174/4885CCR1 1845/4885CCR5 1371/4885
US-20120196866-A1 2-Oxo-1-Pyrrolidine Derivatives, Processes for Preparing Them and Their Uses CYP3A4, CYP1B1, CYP2D6 PARP1 174/4885CCR1 1845/4885CCR5 1371/4885
US-20090156607-A1 2-OXO-1-PYRROLIDINE DERIVATIVES OPRD1, PPOX, CYP2D6 PARP1 111/4885CCR1 1253/4885CCR5 928/4885
US-20070213361-A1 Preventive and/or therapeutic agent for neutrophilic inflammatory diseases MPO, MSR1, NR4A3 PARP1 2746/4885CCR1 19/4885CCR5 100/4885

“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.