SCHEMBL856092

SCHEMBL856092

CCCCCC(=O)n1ccc2c(Cc3c[nH]c4ncc(-c5cnc(OC)nc5)cc34)cccc21

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.40
MAP4K1 Q92918 2/20 0.40
CYP2D6 P10635 1/20 0.37
AXL P30530 2/20 0.36
ABL1 P00519 1/20 0.35
NEK1 Q96PY6 5/20 0.35
AAK1 Q2M2I8 1/20 0.35
PAK4 O96013 1/20 0.35
PAK1 Q13153 1/20 0.35
MET P08581 1/20 0.35
OXER1 Q8TDS5 1/20 0.34
SGK1 O00141 1/20 0.34
CAMKK2 Q96RR4 1/20 0.34
CYP2C9 P11712 2/20 0.34
RIPK1 Q13546 1/20 0.33

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
SCHEMBL10261181 0.90 ICMT (0.37) OXER1CYP2C9
SCHEMBL856095 0.89 AXL (0.42) CYP3A4MAP4K1AXLABL1NEK1
SCHEMBL856131 0.88 MTNR1A (0.44) CYP3A4MAP4K1OXER1CYP2C9
SCHEMBL10257576 0.85 CYP3A4 (0.36) CYP3A4MAP4K1CYP2D6AXLABL1
SCHEMBL858744 0.75 ALK (0.43) CYP3A4MAP4K1PAK4PAK1MET
Butyramide SCHEMBL28814303 0.74 PDPK1 (0.42) CYP3A4MAP4K1AXLABL1NEK1
SCHEMBL7951947 0.73 PDPK1 (0.39) CYP3A4MAP4K1AXLABL1NEK1
SCHEMBL17168325 0.73 MTNR1A (0.35) CYP3A4MAP4K1AXLPAK4PAK1
SCHEMBL858516 0.69 SNCA (0.39) CYP3A4MAP4K1CYP2D6AAK1PAK4
SCHEMBL859405 0.68 MAPT (0.32) CYP3A4MAP4K1CYP2C9

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 3 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-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 (1 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-20130303534-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CYP3A4 4658/4885MAP4K1 15/4885CYP2D6 4480/4885

“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.