SCHEMBL878813

SCHEMBL878813

CCN(CC)CCCNCc1c[nH]c2ncccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.51
BCHE P06276 1/20 0.49
MTNR1A P48039 1/20 0.46
MET P08581 1/20 0.46
KIT P10721 1/20 0.43
CHRM2 P08172 1/20 0.43
KDM4E B2RXH2 2/20 0.43
NSD2 O96028 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RET P07949 1/20 0.43
HTR6 P50406 3/20 0.42
HDAC1 Q13547 1/20 0.41
MC1R Q01726 1/20 0.41
FGFR1 P11362 1/20 0.41
FGFR4 P22455 1/20 0.41
GAA P10253 1/20 0.40
HTR2A P28223 1/20 0.40
HTR7 P34969 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 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
SCHEMBL32669271 0.81 HTR1A (0.60) GPR84BCHEMTNR1AMETRET
SCHEMBL878774 0.75 SOD1 (0.48) GPR84METDRD4KMT2A
SCHEMBL878886 0.73 GPR84 (0.59) GPR84BCHEMTNR1AMETHTR6
SCHEMBL25029946 0.73 GPR84 (0.59) GPR84BCHEMTNR1AMETHTR6
SCHEMBL878881 0.73 GPR84 (0.59) GPR84MTNR1AMETHTR6FGFR1
SCHEMBL2692513 0.73 GPR84 (0.73) GPR84BCHEMTNR1AMETRET
SCHEMBL31385845 0.73 GPR84 (0.73) GPR84BCHEMTNR1AMETRET
SCHEMBL878786 0.73 GPR84 (0.55) GPR84MTNR1AMETCHRM2ALDH1A1
SCHEMBL878834 0.73 MET (0.56) GPR84MTNR1AMETKITKDM4E
SCHEMBL8388585 0.72 BCHE (0.52) GPR84BCHEMTNR1AMETKDM4E

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2018-04-26 US disclosed
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2016-06-23 US disclosed
US-20150290205-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2015-10-15 US disclosed
US-20130261117-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2013-10-03 US disclosed
US-8470818-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2013-06-25 US disclosed
US-8415469-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2013-04-09 US disclosed
US-8415469-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2013-04-09 US disclosed
US-8143271-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2012-03-27 US disclosed
US-20120053177-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2012-03-01 US disclosed
US-20120022098-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2012-01-26 US disclosed
US-20110059963-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2011-03-10 US disclosed
US-7863288-B2 protein kinase modulators such as Propane-1-sulfonic acid [2,4-difluoro-3-(5-ethoxy-1H-pyrrolo[1,3-b]pyridine-3-carbonyl)-phenyl]-amide, used to regulate signal transduction cascades, involved in the control of physiological functions including cellular growth and proliferation; anticarcinogenic agents PLEXXIKON, INC. (US) 2011-01-04 US disclosed
US-20100256365-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2010-10-07 US disclosed
US-20100256365-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2010-10-07 US disclosed
US-20100249118-A1 protein kinase modulators such as Propane-1-sulfonic acid [2,4-difluoro-3-(5-ethoxy-1H-pyrrolo[1,3-b]pyridine-3-carbonyl)-phenyl]-amide, used to regulate signal transduction cascades, involved in the control of physiological functions including cellular growth and proliferation; anticarcinogenic agents PLEXXIKON INC. 2010-09-30 US disclosed
US-20100249118-A1 protein kinase modulators such as Propane-1-sulfonic acid [2,4-difluoro-3-(5-ethoxy-1H-pyrrolo[1,3-b]pyridine-3-carbonyl)-phenyl]-amide, used to regulate signal transduction cascades, involved in the control of physiological functions including cellular growth and proliferation; anticarcinogenic agents PLEXXIKON INC. 2010-09-30 US disclosed
WO-2007002433-A1 PYRROLO [2, 3-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON, INC. (US) 2007-01-04 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 (9 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-20100249118-A1 protein kinase modulators such as Propane-1-sulfonic acid [2,4-difluoro-3-(5-ethoxy-1H-pyrrolo[1,3-b]pyridine-3-carbonyl)-phenyl]-amide, used to regulate signal transduction cascades, involved in the control of physiological functions including cellular growth and proliferation; anticarcinogenic agents MAP4K1, MAP4K2, MAP3K1 GPR84 3523/4885BCHE 4580/4885MTNR1A 2991/4885
US-20120053177-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 GPR84 4039/4885BCHE 3192/4885MTNR1A 4001/4885
US-20120022098-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 GPR84 4039/4885BCHE 3192/4885MTNR1A 4001/4885
US-20110059963-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 GPR84 4039/4885BCHE 3192/4885MTNR1A 4001/4885
US-20130261117-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 GPR84 4039/4885BCHE 3192/4885MTNR1A 4001/4885
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 GPR84 4039/4885BCHE 3192/4885MTNR1A 4001/4885
US-20150290205-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 GPR84 4039/4885BCHE 3192/4885MTNR1A 4001/4885
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 GPR84 4039/4885BCHE 3192/4885MTNR1A 4001/4885
US-20100256365-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 GPR84 4039/4885BCHE 3192/4885MTNR1A 4001/4885

“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.