SCHEMBL7945855

SCHEMBL7945855

CC(c1c(F)ccc(O)c1F)c1c[nH]c2ncc(-c3cccnc3)cc12

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 7/20 0.44
PIK3CA P42336 2/20 0.44
NTRK1 P04629 1/20 0.44
KIT P10721 1/20 0.44
NEK1 Q96PY6 2/20 0.43
CCNT1 O60563 1/20 0.42
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
CDK9 P50750 1/20 0.42
RIPK1 Q13546 1/20 0.42
PDPK1 O15530 1/20 0.41
CLK1 P49759 4/20 0.40
AAK1 Q2M2I8 3/20 0.40
TDO2 P48775 1/20 0.40
CLK2 P49760 1/20 0.39
DYRK2 Q92630 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
PLCG1 P19174 1/20 0.39

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
SCHEMBL857443 0.89 DYRK1A (0.45) DYRK1APIK3CANTRK1KITNEK1
SCHEMBL411701 0.89 DYRK1A (0.42) DYRK1APIK3CANTRK1KITNEK1
SCHEMBL14845841 0.88 HDAC3 (0.48) DYRK1APIK3CANTRK1KITNEK1
SCHEMBL2322561 0.82 JAK2 (0.54) DYRK1APIK3CANTRK1KITNEK1
SCHEMBL857629 0.82 DYRK1A (0.47) DYRK1APIK3CANTRK1KITNEK1
SCHEMBL15061521 0.80 DYRK1A (0.44) DYRK1APIK3CANTRK1KITNEK1
SCHEMBL27839842 0.79 DYRK1A (0.49) DYRK1APIK3CANTRK1KITNEK1
SCHEMBL3507092 0.78 DYRK1A (0.49) DYRK1APIK3CANTRK1KITNEK1
SCHEMBL27839841 0.77 DYRK1A (0.47) DYRK1APIK3CANTRK1KITNEK1
SCHEMBL3505412 0.76 HDAC3 (0.48) DYRK1APIK3CANTRK1KITNEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8415469-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2013-04-09 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-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 (2 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 DYRK1A 646/4885PIK3CA 298/4885NTRK1 1265/4885
US-20100256365-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 DYRK1A 604/4885PIK3CA 79/4885NTRK1 836/4885

“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.