SCHEMBL414814

SCHEMBL414814

COc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4cccc(NC(C)=O)c4)cc23)c1F

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.63
CYP2D6 P10635 2/20 0.55
AAK1 Q2M2I8 1/20 0.53
NTRK1 P04629 1/20 0.53
BTK Q06187 6/20 0.51
ITK Q08881 6/20 0.51
DYRK1A Q13627 1/20 0.51
DYRK1B Q9Y463 1/20 0.51
CYP2C19 P33261 4/20 0.51
CYP2C9 P11712 3/20 0.51
CYP3A4 P08684 1/20 0.51
IGF1R P08069 1/20 0.49
BRAF P15056 1/20 0.46

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
SCHEMBL17523414 0.93 KIT (0.63) KITCYP2D6AAK1NTRK1BTK
SCHEMBL17319203 0.92 KIT (0.61) KITCYP2D6AAK1NTRK1BTK
SCHEMBL412758 0.89 KIT (0.63) KITAAK1NTRK1BTKITK
SCHEMBL414770 0.88 CYP2D6 (0.59) CYP2D6AAK1CYP2C19CYP2C9CYP3A4
SCHEMBL414812 0.87 AAK1 (0.63) KITCYP2D6AAK1CYP2C19CYP2C9
SCHEMBL857051 0.84 KIT (0.57) KITCYP2D6AAK1NTRK1BTK
SCHEMBL413571 0.84 KIT (0.56) KITCYP2D6AAK1CYP2C19CYP2C9
SCHEMBL410021 0.83 AXL (0.62) KITCYP2D6AAK1CYP2C19CYP2C9
SCHEMBL8388651 0.82 CYP2C19 (0.59) CYP2D6CYP2C19CYP2C9CYP3A4BRAF
SCHEMBL857930 0.82 NTRK1 (0.60) KITNTRK1BTKITKIGF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3545956-B1 3,5-(UN)SUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINE, 1H-PYRAZOLO[3,4-B]PYRIDINE AND 5H- PYRROLO[2,3-B]PYRAZINE DUAL ITK AND JAK3 KINASE INHIBITORS ARRIEN PHARMACEUTICALS LLC (US) 2020-12-16 EP disclosed
EP-3545956-A1 3,5-(UN)SUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINE, 1H-PYRAZOLO[3,4-B]PYRIDINE AND 5H- PYRROLO[2,3-B]PYRAZINE DUAL ITK AND JAK3 KINASE INHIBITORS Arrien Pharmaceuticals LLC (US) 2019-10-02 EP disclosed
EP-2986300-B1 3,5-(UN)SUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINE, 1H-PYRAZOLO[3,4-B]PYRIDINE AND 5H-PYRROLO [2-,3-B]PYRAZINE DUAL ITK AND JAK3 KINASE INHIBITORS ARRIEN PHARMACEUTICALS LLC (US) 2019-06-26 EP disclosed
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-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2018-04-26 US disclosed
US-9834551-B2 Substituted pyrrolo[2,3-b]pyrazines and substituted pyrazolo[3,4-b]pyridines as ITK and JAK kinase inhibitors ARRIEN PHARMACEUTICALS LLC (US) 2017-12-05 US disclosed
US-9834551-B2 Substituted pyrrolo[2,3-b]pyrazines and substituted pyrazolo[3,4-b]pyridines as ITK and JAK kinase inhibitors ARRIEN PHARMACEUTICALS LLC (US) 2017-12-05 US disclosed
EP-3088400-A1 PYRROLO[2,3-B]PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON INC. (US) 2016-11-02 EP disclosed
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2016-06-23 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-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-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
EP-1893612-A1 PYRROLO [2, 3-B]PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON, INC. (US) 2008-03-05 EP disclosed
WO-2007002433-A1 PYRROLO [2, 3-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON, INC. (US) 2007-01-04 WO 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 (4 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 KIT 2984/4885CYP2D6 4769/4885AAK1 120/4885
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 KIT 1117/4885CYP2D6 4480/4885AAK1 335/4885
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 KIT 1117/4885CYP2D6 4480/4885AAK1 335/4885
US-20100256365-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 KIT 1117/4885CYP2D6 4480/4885AAK1 335/4885

“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.