SCHEMBL856419

SCHEMBL856419

O=C(c1cccc2c1C=CC2)c1c[nH]c2ncc(Nc3ccc(Cl)cc3)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 8/20 0.42
NTRK1 P04629 3/20 0.41
PRKD3 O94806 2/20 0.41
MAP4K4 O95819 2/20 0.41
EGFR P00533 2/20 0.41
LCK P06239 2/20 0.41
FYN P06241 2/20 0.41
AXL P30530 2/20 0.41
FLT4 P35916 2/20 0.41
FLT3 P36888 2/20 0.41
FRK P42685 2/20 0.41
CLK2 P49760 2/20 0.41
MAP4K2 Q12851 2/20 0.41
CAMK2B Q13554 2/20 0.41
CAMK2G Q13555 2/20 0.41
CAMK2D Q13557 2/20 0.41
PTK6 Q13882 2/20 0.41
NTRK3 Q16288 2/20 0.41
PKN2 Q16513 2/20 0.41
MINK1 Q8N4C8 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
SCHEMBL856204 0.86 AAK1 (0.41) PAK1EGFRPKN1DYRK1ACSF1R
SCHEMBL855897 0.86 CLK1 (0.38) PAK1FLT3PKN1DYRK1ACDK1
SCHEMBL855829 0.85 CLK1 (0.43) PAK1EGFRFLT3BRAFDYRK1A
SCHEMBL14620824 0.79 KDR (0.41) PAK1NTRK1PRKD3MAP4K4EGFR
SCHEMBL7995790 0.73 PAK1 (0.47) PAK1NTRK1PRKD3MAP4K4EGFR
SCHEMBL8002952 0.70 AXL (0.51) PAK1NTRK1PRKD3MAP4K4EGFR
SCHEMBL878964 0.69 PAK1 (0.46) PAK1NTRK1BTK
SCHEMBL878845 0.69 BRD4 (0.52) PAK1DYRK1AABL1CSF1RIGF1R
SCHEMBL878740 0.68 NTRK1 (0.42) PAK1NTRK1MAP4K4EGFRLCK
SCHEMBL878871 0.67 TUBB1 (0.46) PAK1NTRK1PRKD3MAP4K4EGFR

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 10 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-20130303534-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2013-11-14 US disclosed
US-8470818-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2013-06-25 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

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

For each of this compound's patents that has machine-readable text (7 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 PAK1 187/4885NTRK1 836/4885PRKD3 63/4885
US-20120022098-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 PAK1 187/4885NTRK1 836/4885PRKD3 63/4885
US-20110059963-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 PAK1 187/4885NTRK1 836/4885PRKD3 63/4885
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 PAK1 187/4885NTRK1 836/4885PRKD3 63/4885
US-20130303534-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 PAK1 187/4885NTRK1 836/4885PRKD3 63/4885
US-20150290205-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 PAK1 187/4885NTRK1 836/4885PRKD3 63/4885
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 PAK1 187/4885NTRK1 836/4885PRKD3 63/4885

“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.