SCHEMBL8003003

SCHEMBL8003003

Cc1cc(C(=O)c2c[nH]c3ncc(Nc4ccc(N5CCOCC5)cc4)cc23)n(C)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.44
MAPT P10636 12/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
RAF1 P04049 3/20 0.41
BRAF P15056 3/20 0.41
ALDH1A1 P00352 1/20 0.41
RAB9A P51151 1/20 0.41
CLK1 P49759 3/20 0.41
DYRK1A Q13627 2/20 0.41
MAPK1 P28482 3/20 0.41
TP53 P04637 2/20 0.41
GAA P10253 7/20 0.41
TDP1 Q9NUW8 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
LMNA P02545 2/20 0.41
MC4R P32245 2/20 0.41
HTT P42858 2/20 0.41
MEN1 O00255 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
SCHEMBL859377 0.84 FGFR4 (0.49) IGF1RMAPTSMN1; SMN2KDM4EHPGD
SCHEMBL878816 0.82 RXFP1 (0.45) MAPTSMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL7991246 0.80 FGFR4 (0.55) MAPTSMN1; SMN2KDM4EALDH1A1CLK1
SCHEMBL7999353 0.79 FLT3 (0.47) IGF1RHPGDALDH1A1RAB9ACLK1
SCHEMBL878884 0.79 CLK1 (0.54) IGF1RMAPTSMN1; SMN2ALDH1A1RAB9A
SCHEMBL7997445 0.78 MEN1 (0.43) IGF1RMAPTHPGDALDH1A1MEN1
SCHEMBL14620820 0.77 TTBK1 (0.46) IGF1RMAPTSMN1; SMN2ALDH1A1CLK1
SCHEMBL10293329 0.76 MAPK10 (0.41) IGF1RMAPTSMN1; SMN2KDM4EBRAF
SCHEMBL855829 0.75 CLK1 (0.43) IGF1RMAPTSMN1; SMN2BRAFCLK1
SCHEMBL14620853 0.75 TTBK1 (0.41) MAPTSMN1; SMN2BRAFCLK1DYRK1A

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 13 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-20130261117-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2013-10-03 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-20120022098-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2012-01-26 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-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

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-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 IGF1R 604/4885MAPT 4171/4885SMN1; SMN2 3233/4885
US-20120022098-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 IGF1R 1331/4885MAPT 2203/4885SMN1; SMN2 1839/4885
US-20130261117-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 IGF1R 1331/4885MAPT 2203/4885SMN1; SMN2 1839/4885
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 IGF1R 1331/4885MAPT 2203/4885SMN1; SMN2 1839/4885
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 IGF1R 1331/4885MAPT 2203/4885SMN1; SMN2 1839/4885
US-20100256365-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 IGF1R 1331/4885MAPT 2203/4885SMN1; SMN2 1839/4885

“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.