SCHEMBL856519

SCHEMBL856519

CCCNC(=O)Nc1ccc(F)c(C(O)c2c[nH]c3ncc(OC)cc23)c1F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.41
MTNR1B P49286 2/20 0.41
BRAF P15056 7/20 0.39
LMNA P02545 1/20 0.38
EPHX2 P34913 1/20 0.38
FLT1 P17948 2/20 0.36
FLT4 P35916 2/20 0.36
KDR P35968 2/20 0.36
KIT P10721 1/20 0.36
PDGFRA P16234 1/20 0.36
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
MAPT P10636 1/20 0.35
POLB P06746 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL416154 0.95 EPHX2 (0.43) MTNR1AMTNR1BBRAFLMNAEPHX2
SCHEMBL858253 0.89 BRAF (0.40) MTNR1AMTNR1BBRAFFLT1KDR
SCHEMBL412497 0.87 MTNR1B (0.39) MTNR1AMTNR1BBRAFFLT4POLB
SCHEMBL10260627 0.84 EPHX2 (0.45) BRAFEPHX2FLT1KDRKIT
SCHEMBL856312 0.83 RIPK1 (0.45)
SCHEMBL299852 0.82 BRAF (0.54) BRAFFLT1KDRKITPDGFRA
SCHEMBL855990 0.81 MTNR1A (0.49) MTNR1AMTNR1BBRAFLMNAEPHX2
SCHEMBL858673 0.79 BRAF (0.40) MTNR1AMTNR1BBRAFFLT1KDR
SCHEMBL10260007 0.79 RIPK1 (0.44) EPHX2
SCHEMBL3505504 0.78 MTNR1A (0.40) MTNR1AMTNR1B

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 8 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-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2018-04-26 US disclosed
US-8415469-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2013-04-09 US disclosed
US-8415469-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2013-04-09 US disclosed
US-8143271-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2012-03-27 US disclosed
US-8143271-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2012-03-27 US disclosed
US-20100256365-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2010-10-07 US disclosed
US-20100256365-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2010-10-07 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-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 MTNR1A 4001/4885MTNR1B 3123/4885BRAF 48/4885
US-20100256365-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 MTNR1A 4001/4885MTNR1B 3123/4885BRAF 48/4885

“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.