SCHEMBL17132633

SCHEMBL17132633

COc1ccc(CSc2cc(NCc3ccc(CO)cc3)ncc2N)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ HDAC1 Q13547 3/20 0.45
▸ FYN P06241 1/20 0.42
▸ MAPT P10636 1/20 0.41
▸ HDAC3 O15379 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ VNN1 O95497 2/20 0.40
▸ CLK4 Q9HAZ1 2/20 0.40
▸ MAPK13 O15264 1/20 0.40
▸ MAPK12 P53778 1/20 0.40
▸ MAPK11 Q15759 1/20 0.40
▸ MAPK14 Q16539 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ ASPH Q12797 1/20 0.39
▸ RIOX2 Q8IUF8 1/20 0.39
▸ KDM8 Q8N371 1/20 0.39

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
SCHEMBL15688793 0.94 NPC1 (0.49) NPC1RAB9AKMT2AHDAC1MAPT
SCHEMBL17132634 0.83 NPC1 (0.56) NPC1RAB9AKMT2AHDAC1FYN
SCHEMBL17132632 0.80 NPC1 (0.44) NPC1RAB9AKMT2AHDAC1FYN
SCHEMBL15688954 0.76 NPC1 (0.61) NPC1RAB9AKMT2AMAPTLMNA
SCHEMBL15689067 0.73 NPC1 (0.48) NPC1RAB9AKMT2AHDAC1MAPT
SCHEMBL19641240 0.72 LMNA (0.49) NPC1RAB9AKMT2AHDAC1FYN
SCHEMBL30677194 0.72 LMNA (0.49) NPC1RAB9AKMT2AHDAC1FYN
SCHEMBL17132631 0.69 NPC1 (0.53) NPC1RAB9AKMT2AMAPTCLK4
SCHEMBL20489500 0.69 MAPT (0.57) NPC1RAB9AKMT2AHDAC1MAPT
SCHEMBL30592887 0.69 NPC1 (0.61) NPC1RAB9AKMT2AHDAC1FYN

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9546153-B2 Bicyclic heterocycle substituted pyridyl compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-01-17 — — US disclosed
US-20150274696-A1 BICYCLIC HETEROCYCLE SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2015-10-01 — — 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-20150274696-A1 BICYCLIC HETEROCYCLE SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE MODULATORS IRAK4, IRAK1, IRAK3 NPC1 3964/4885RAB9A 2555/4885KMT2A 671/4885

“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.

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