SCHEMBL16607690

SCHEMBL16607690

COc1ccc(Cc2ccc(C(=O)Nc3ccccn3)cc2)cc1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.85
NPC1 O15118 7/20 0.70
RAB9A P51151 7/20 0.70
MEN1 O00255 5/20 0.61
KMT2A Q03164 5/20 0.61
CHRNB2 P17787 1/20 0.60
CHRNB4 P30926 1/20 0.60
CHRNA3 P32297 1/20 0.60
CHRNA4 P43681 1/20 0.60
HDAC3 O15379 1/20 0.58
HDAC4 P56524 1/20 0.58
HDAC1 Q13547 1/20 0.58
HDAC7 Q8WUI4 1/20 0.58
HDAC2 Q92769 1/20 0.58
HDAC10 Q969S8 1/20 0.58
HDAC11 Q96DB2 1/20 0.58
HDAC8 Q9BY41 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
HDAC9 Q9UKV0 1/20 0.58
HDAC5 Q9UQL6 1/20 0.58

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
SCHEMBL12502132 0.92 F2 (1.00) F2NPC1RAB9AMEN1KMT2A
SCHEMBL10162070 0.81 NPC1 (0.76) F2NPC1RAB9AMEN1KMT2A
SCHEMBL6360105 0.81 F2 (0.77) F2NPC1RAB9AMEN1KMT2A
SCHEMBL4575591 0.80 KMT2A (0.68) F2NPC1RAB9AMEN1KMT2A
SCHEMBL13514038 0.79 NPC1 (0.71) F2NPC1RAB9AMEN1KMT2A
SCHEMBL30038962 0.78 RAB9A (0.76) F2NPC1RAB9AMEN1KMT2A
SCHEMBL4507767 0.78 RAB9A (0.76) F2NPC1RAB9AMEN1KMT2A
SCHEMBL18398690 0.78 RAB9A (0.76) F2NPC1RAB9AMEN1KMT2A
SCHEMBL28656164 0.78 RAB9A (0.76) F2NPC1RAB9AMEN1KMT2A
SCHEMBL23406123 0.78 F2 (0.72) F2NPC1RAB9AMEN1KMT2A

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-9624224-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS LLC (US) 2017-04-18 US disclosed
US-20170050970-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. 2017-02-23 US disclosed
US-20150094319-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC 2015-04-02 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-20170050970-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LYN, LCK F2 2905/4885NPC1 4476/4885RAB9A 2689/4885
US-20150094319-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LYN, LCK F2 2905/4885NPC1 4476/4885RAB9A 2689/4885

“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.