SCHEMBL856095

SCHEMBL856095

CCCCCC(=O)n1ccc2c(Cc3c[nH]c4ncc(-c5ccncc5)cc34)cccc21

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AXL P30530 2/20 0.42
CYP3A4 P08684 2/20 0.41
MAP4K1 Q92918 2/20 0.41
NEK1 Q96PY6 1/20 0.40
NTRK1 P04629 7/20 0.40
PDPK1 O15530 1/20 0.38
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
SGK1 O00141 1/20 0.36
CAMKK2 Q96RR4 1/20 0.36
ABL1 P00519 1/20 0.36
PAK4 O96013 1/20 0.36
PAK1 Q13153 1/20 0.36
MET P08581 1/20 0.36
PIK3CA P42336 2/20 0.36
PLCG1 P19174 1/20 0.35
OXER1 Q8TDS5 1/20 0.35
KIT P10721 1/20 0.35

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
SCHEMBL856092 0.89 CYP3A4 (0.40) AXLCYP3A4MAP4K1NEK1SGK1
SCHEMBL8242206 0.88 AXL (0.41) AXLCYP3A4MAP4K1NEK1NTRK1
Butyramide SCHEMBL27984563 0.86 AXL (0.41) AXLCYP3A4MAP4K1NEK1NTRK1
SCHEMBL856131 0.85 MTNR1A (0.44) CYP3A4MAP4K1OXER1
SCHEMBL7951947 0.84 PDPK1 (0.39) AXLCYP3A4MAP4K1NEK1NTRK1
SCHEMBL413921 0.80 PDPK1 (0.42) CYP3A4MAP4K1NEK1NTRK1PDPK1
Butyramide SCHEMBL28814303 0.78 PDPK1 (0.42) AXLCYP3A4MAP4K1NEK1NTRK1
SCHEMBL10261181 0.78 ICMT (0.37) OXER1
SCHEMBL858744 0.76 ALK (0.43) CYP3A4MAP4K1PDPK1PAK4PAK1
SCHEMBL8249503 0.76 CYP3A4 (0.40) AXLCYP3A4MAP4K1NEK1ABL1

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-20130303534-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2013-11-14 US disclosed
US-8143271-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2012-03-27 US disclosed
US-20120022098-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2012-01-26 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 (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-20120022098-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 AXL 1354/4885CYP3A4 4658/4885MAP4K1 15/4885
US-20130303534-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 AXL 1354/4885CYP3A4 4658/4885MAP4K1 15/4885

“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.