SCHEMBL858159

SCHEMBL858159

Cc1cc(C(=O)c2c[nH]c3nccc(-c4cccnc4)c23)no1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.46
USP2 O75604 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.45
PSMD14 O00487 1/20 0.45
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45
ALOX15 P16050 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TSHR P16473 2/20 0.44
BRD4 O60885 2/20 0.44
PKM P14618 1/20 0.42
DYRK1A Q13627 2/20 0.42
DYRK1B Q9Y463 1/20 0.42
ROCK2 O75116 2/20 0.41
ROCK1 Q13464 2/20 0.41
CDC42BPB Q9Y5S2 2/20 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
SCHEMBL858863 0.86 PRKCI (0.49) BRD4DYRK1ADYRK1BROCK2ROCK1
SCHEMBL857795 0.85 LRRK2 (0.48) HSD17B10USP2ALDH1A1MAPTMEN1
SCHEMBL858144 0.85 LRRK2 (0.46) HSD17B10ALDH1A1MAPTMEN1NPC1
SCHEMBL858955 0.85 PRKAG1 (0.43) NPC1RAB9ASMN1; SMN2BRD4MAPK1
SCHEMBL857913 0.84 CAMKK2 (0.40) NPC1ROCK2JAK3LRRK2
SCHEMBL878866 0.84 USP2 (0.50) HSD17B10USP2ALDH1A1MAPTTP53
SCHEMBL858348 0.83 MAPK8 (0.51) DYRK1BROCK2ROCK1CDC42BPALRRK2
SCHEMBL858970 0.83 CHUK (0.44) ALDH1A1TP53ALOX15SMN1; SMN2ROCK1
SCHEMBL858801 0.82 BRD4 (0.60) HSD17B10TSHRBRD4DYRK1ANR4A2
SCHEMBL1363899 0.82 PIM2 (0.44) ALDH1A1MAPTMEN1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067434-B2 Compounds and methods for development of Ret modulators PLEXXIKON INC. (US) 2011-11-29 US claimed
US-20100324065-A1 Compounds and methods for development of Ret Modulators PLEXXIKON INC 2010-12-23 US claimed
US-7504509-B2 Compounds and methods for development of Ret modulators PLEXXIKON, INC. (US) 2009-03-17 US claimed
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2018-04-26 US disclosed
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-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-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-20130261117-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2013-10-03 US disclosed
US-20100324065-A1 Compounds and methods for development of Ret Modulators PLEXXIKON INC 2010-12-23 US disclosed
US-20100324065-A1 Compounds and methods for development of Ret Modulators PLEXXIKON INC 2010-12-23 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
US-7504509-B2 Compounds and methods for development of Ret modulators PLEXXIKON, INC. (US) 2009-03-17 US disclosed
US-20070049615-A1 Compounds and methods for development of Ret modulators PLEXXIKON, INC. 2007-03-01 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 (8 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 HSD17B10 4166/4885USP2 1668/4885ALDH1A1 3144/4885
US-20100324065-A1 Compounds and methods for development of Ret Modulators RET, GFRA3, GFRA1 HSD17B10 3501/4885USP2 3358/4885ALDH1A1 3687/4885
US-20130261117-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 HSD17B10 2754/4885USP2 2256/4885ALDH1A1 4348/4885
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 HSD17B10 2754/4885USP2 2256/4885ALDH1A1 4348/4885
US-20150290205-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 HSD17B10 2754/4885USP2 2256/4885ALDH1A1 4348/4885
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 HSD17B10 2754/4885USP2 2256/4885ALDH1A1 4348/4885
US-20100256365-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 HSD17B10 2754/4885USP2 2256/4885ALDH1A1 4348/4885
US-20070049615-A1 Compounds and methods for development of Ret modulators RET, GFRA1, GFRA3 HSD17B10 3604/4885USP2 3408/4885ALDH1A1 3491/4885

“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.