SCHEMBL10292989

SCHEMBL10292989

CC(=O)Nc1cccc(-c2cnc3[nH]cc(C(=O)c4cccc(O)c4)c3c2)c1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.60
KIT P10721 1/20 0.55
RIPK1 Q13546 2/20 0.53
AAK1 Q2M2I8 1/20 0.52
BTK Q06187 7/20 0.51
ITK Q08881 7/20 0.51
CHEK1 O14757 2/20 0.51
CLK1 P49759 1/20 0.51
DYRK1A Q13627 1/20 0.51
DYRK2 Q92630 1/20 0.51
DYRK1B Q9Y463 1/20 0.51
FGFR1 P11362 1/20 0.51
NEK2 P51955 1/20 0.51
MAPK15 Q8TD08 1/20 0.51
FYN P06241 2/20 0.50
PLCG1 P19174 1/20 0.48
IGF1R P08069 1/20 0.48
USP7 Q93009 1/20 0.48

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
SCHEMBL417058 0.87 RIPK1 (0.58) NTRK1KITRIPK1AAK1BTK
SCHEMBL878738 0.86 TNIK (0.55) AAK1BTKCLK1DYRK1ADYRK2
SCHEMBL413343 0.86 NTRK1 (0.60) NTRK1KITRIPK1AAK1BTK
SCHEMBL857556 0.85 NTRK1 (0.57) NTRK1KITRIPK1BTKITK
SCHEMBL857422 0.85 AXL (0.61) NTRK1RIPK1AAK1ITKCHEK1
SCHEMBL414037 0.85 NTRK1 (0.55) NTRK1KITRIPK1AAK1BTK
SCHEMBL415590 0.84 KIT (0.61) NTRK1KITRIPK1AAK1BTK
SCHEMBL415835 0.84 NTRK1 (0.54) NTRK1KITRIPK1AAK1BTK
SCHEMBL856998 0.83 KIT (0.57) NTRK1KITAAK1ITKCHEK1
SCHEMBL1516774 0.83 AAK1 (0.66) NTRK1AAK1ITKCHEK1DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20120053177-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 NTRK1 836/4885KIT 1117/4885RIPK1 507/4885
US-20110059963-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 NTRK1 836/4885KIT 1117/4885RIPK1 507/4885
US-20100256365-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 NTRK1 836/4885KIT 1117/4885RIPK1 507/4885

“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.