SCHEMBL16769862

SCHEMBL16769862

Cc1ncc(COc2ccc(F)c(Br)c2)cn1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.39
GRIN1 Q05586 3/20 0.39
GRIN2B Q13224 3/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
MAOB P27338 13/20 0.38
MAOA P21397 3/20 0.38
ACHE P22303 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.36
PARP15 Q460N3 1/20 0.36
PARP10 Q53GL7 1/20 0.36

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
SCHEMBL31632684 0.83 MAOB (0.39) RXRAGRIN1GRIN2BHDAC1HDAC6
SCHEMBL190181 0.80 MAOB (0.55) MAOBMAOA
SCHEMBL29468641 0.78 SMN1; SMN2 (0.46) GRIN2BMAOBMAOA
SCHEMBL8251097 0.78 MAOB (0.57) HDAC6MAOBMAOA
SCHEMBL30065009 0.78 MAOB (0.57) HDAC6MAOBMAOA
SCHEMBL29468690 0.77 CYP4F2 (0.42) HDAC1HDAC6HDAC5MAOBMAOA
SCHEMBL29468740 0.77 HSD17B10 (0.49) MAOA
SCHEMBL16769687 0.76 SLC6A4 (0.40)
SCHEMBL29468828 0.75 RXRA (0.40) RXRAGRIN1GRIN2B
SCHEMBL15615099 0.74 MAOB (0.42) HDAC1HDAC6HDAC5MAOB

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-20170158697-A1 Protein Kinase Inhibitors PHARMASCIENCE INC. (CA) 2017-06-08 US disclosed
US-20170158697-A1 Protein Kinase Inhibitors PHARMASCIENCE INC. (CA) 2017-06-08 US disclosed
WO-2015077866-A1 PROTEIN KINASE INHIBITORS PHARMASCIENCE INC. (CA) 2015-06-04 WO 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-20170158697-A1 Protein Kinase Inhibitors TEC, LCK, SRC RXRA 4763/4885GRIN1 3646/4885GRIN2B 4362/4885

“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.