SCHEMBL855990

SCHEMBL855990

CCCNC(=O)Nc1ccc(F)c(Cc2c[nH]c3ncc(OC)cc23)c1F

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.49
MTNR1B P49286 2/20 0.49
BRAF P15056 3/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 3/20 0.41
MAPT P10636 2/20 0.40
CSF1R P07333 1/20 0.40
CYP2C9 P11712 1/20 0.40
POLB P06746 1/20 0.40
LMNA P02545 1/20 0.39
EPHX2 P34913 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL417299 0.95 MTNR1A (0.48) MTNR1AMTNR1BBRAFCYP1A2CYP3A4
SCHEMBL859069 0.88 MTNR1A (0.47) MTNR1AMTNR1BBRAFCYP1A2CYP3A4
SCHEMBL412799 0.84 EPHX2 (0.46) MTNR1AMTNR1BCYP1A2CYP3A4CSF1R
SCHEMBL414573 0.83 EPHX2 (0.47) BRAFCYP3A4MAPTCSF1RCYP2C9
SCHEMBL856519 0.81 MTNR1A (0.41) MTNR1AMTNR1BBRAFMAPTPOLB
SCHEMBL298716 0.80 BRAF (0.59) BRAFCYP3A4CSF1RCYP2C9
SCHEMBL3509316 0.79 MTNR1A (0.50) MTNR1AMTNR1BBRAFCYP1A2CYP3A4
SCHEMBL3509320 0.78 CYP1A2 (0.51) MTNR1AMTNR1BCYP1A2CYP3A4CSF1R
SCHEMBL413797 0.78 BRAF (0.54) BRAFCYP3A4CSF1RCYP2C9
SCHEMBL8150484 0.77 MTNR1A (0.77) MTNR1AMTNR1BCYP1A2CYP3A4MAPT

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-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-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

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-20180111929-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.