SCHEMBL10257576

SCHEMBL10257576

C=C(NCCCC)n1ccc2c(Cc3c[nH]c4ncc(-c5cnc(OC)nc5)cc34)cccc21

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.36
MAP4K1 Q92918 2/20 0.36
CYP2D6 P10635 1/20 0.35
MET P08581 3/20 0.34
PAK4 O96013 1/20 0.34
PAK1 Q13153 1/20 0.34
CYP2C9 P11712 3/20 0.33
BRD4 O60885 1/20 0.32
CDK8 P49336 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
ABL1 P00519 1/20 0.32
AXL P30530 1/20 0.32
PRMT5 O14744 2/20 0.31
WDR77 Q9BQA1 2/20 0.31
AAK1 Q2M2I8 1/20 0.31

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
SCHEMBL8249503 0.91 CYP3A4 (0.40) CYP3A4MAP4K1CYP2D6METPAK4
SCHEMBL7951947 0.89 PDPK1 (0.39) CYP3A4MAP4K1METPAK4PAK1
SCHEMBL10257418 0.89 MTNR1B (0.43) CYP3A4CYP2C9MTNR1AMTNR1B
SCHEMBL17168325 0.88 MTNR1A (0.35) CYP3A4MAP4K1METPAK4PAK1
SCHEMBL856092 0.85 CYP3A4 (0.40) CYP3A4MAP4K1CYP2D6METPAK4
SCHEMBL8242206 0.79 AXL (0.41) CYP3A4MAP4K1METPAK4PAK1
SCHEMBL8249506 0.79 MTNR1B (0.48) CYP3A4CYP2C9MTNR1AMTNR1B
SCHEMBL17170056 0.79 MTNR1A (0.39) CYP3A4MAP4K1CYP2C9MTNR1AMTNR1B
SCHEMBL413921 0.78 PDPK1 (0.42) CYP3A4MAP4K1CDK8AAK1
SCHEMBL858744 0.78 ALK (0.43) CYP3A4MAP4K1METPAK4PAK1

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 6 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-8470818-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2013-06-25 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

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

For each of this compound's patents that has machine-readable text (5 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 CYP3A4 4658/4885MAP4K1 15/4885CYP2D6 4480/4885
US-20110059963-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CYP3A4 4658/4885MAP4K1 15/4885CYP2D6 4480/4885
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CYP3A4 4658/4885MAP4K1 15/4885CYP2D6 4480/4885
US-20150290205-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CYP3A4 4658/4885MAP4K1 15/4885CYP2D6 4480/4885
US-20160176865-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.