SCHEMBL856131

SCHEMBL856131

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

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.44
MTNR1B P49286 5/20 0.44
CYP3A4 P08684 5/20 0.42
CYP2C9 P11712 2/20 0.42
CYP1A2 P05177 1/20 0.40
CSF1R P07333 1/20 0.39
FGFR1 P11362 1/20 0.37
FGFR4 P22455 1/20 0.37
OXER1 Q8TDS5 1/20 0.36
EPHX2 P34913 2/20 0.35
MAP4K1 Q92918 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 0.88 CYP3A4 (0.40) CYP3A4CYP2C9OXER1MAP4K1
SCHEMBL8249506 0.87 MTNR1B (0.48) MTNR1AMTNR1BCYP3A4CYP2C9CYP1A2
SCHEMBL856095 0.85 AXL (0.42) CYP3A4OXER1MAP4K1
SCHEMBL10261181 0.79 ICMT (0.37) MTNR1AMTNR1BCYP2C9OXER1
SCHEMBL8249503 0.76 CYP3A4 (0.40) MTNR1AMTNR1BCYP3A4MAP4K1
SCHEMBL17168325 0.75 MTNR1A (0.35) MTNR1AMTNR1BCYP3A4CYP2C9CYP1A2
SCHEMBL10257576 0.73 CYP3A4 (0.36) MTNR1AMTNR1BCYP3A4CYP2C9MAP4K1
SCHEMBL8242206 0.72 AXL (0.41) CYP3A4MAP4K1
SCHEMBL414035 0.72 MTNR1B (0.41) MTNR1AMTNR1BCYP2C9
SCHEMBL858516 0.71 SNCA (0.39) CYP3A4CYP2C9CYP1A2CSF1RMAP4K1

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 MTNR1A 4001/4885MTNR1B 3123/4885CYP3A4 4658/4885
US-20130303534-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 MTNR1A 4001/4885MTNR1B 3123/4885CYP3A4 4658/4885

“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.