Sugi Predict

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SCHEMBL2995904

SCHEMBL2995904

COc1ccc(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)c2C)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 2/20 0.56
▸ LIPE Q05469 7/20 0.52
▸ NPC1 O15118 5/20 0.51
▸ RAB9A P51151 4/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ HDAC3 O15379 1/20 0.50
▸ HDAC4 P56524 1/20 0.50
▸ HDAC1 Q13547 1/20 0.50
▸ HDAC7 Q8WUI4 1/20 0.50
▸ HDAC2 Q92769 1/20 0.50
▸ HDAC10 Q969S8 1/20 0.50
▸ HDAC11 Q96DB2 1/20 0.50
▸ HDAC8 Q9BY41 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50
▸ HDAC9 Q9UKV0 1/20 0.50
▸ HDAC5 Q9UQL6 1/20 0.50
▸ MAPT P10636 2/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.46

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
SCHEMBL13893964 0.88 MAPT (0.49) LIPENPC1RAB9AKMT2AMAPT
SCHEMBL13765541 0.88 RAB9A (0.52) LIPENPC1RAB9AKMT2AMAPT
SCHEMBL2987278 0.88 MAPT (0.50) LIPENPC1RAB9AKMT2AMAPT
SCHEMBL13765542 0.87 LIPE (0.65) LIPENPC1RAB9AMAPTSMN1; SMN2
SCHEMBL26109550 0.87 POLB (0.50) LIPENPC1RAB9AKMT2AHDAC3
SCHEMBL124355 0.86 MEN1 (0.51) LIPEKMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL30586951 0.86 MEN1 (0.51) LIPEKMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL2992272 0.86 LIPE (0.51) LIPENPC1RAB9AKMT2AMAPT
SCHEMBL104612 0.85 RAB9A (0.54) LIPENPC1RAB9AKMT2AMAPT
SCHEMBL29709477 0.85 RAB9A (0.54) LIPENPC1RAB9AKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013157021-A1 BICYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF ADVINUS THERAPEUTICS LIMITED (IN) 2013-10-24 — — WO disclosed
US-8426441-B2 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2013-04-23 — — US disclosed
US-8426441-B2 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2013-04-23 — — US disclosed
US-8426441-B2 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2013-04-23 — — US disclosed
EP-2229390-A1 NOVEL IMIDAZOÝ1,2-A¨PYRIDINE AND IMIDAZOÝ1,2-B¨PYRIDAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2010-09-22 — — EP disclosed
US-20090186898-A1 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC 2009-07-23 — — US disclosed
US-20090186898-A1 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC 2009-07-23 — — US disclosed
US-20090186898-A1 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC 2009-07-23 — — US disclosed
WO-2009077334-A1 NOVEL IMIDAZO[1,2-A]PYRIDINE AND IMIDAZO[1,2-B]PYRIDAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 — — 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-20090186898-A1 Inhibitors of bruton's tyrosine kinase BTK, SYK, LYN F10 1115/4885LIPE 4073/4885NPC1 4614/4885

“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.