Sugi Predict

Sugi Predict / Compounds / SCHEMBL2992272

SCHEMBL2992272

SCHEMBL2992272

Cc1c(NC(=O)c2ccc([Si](C)(C)C)cc2)cccc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LIPE Q05469 9/20 0.51
▸ MAPT P10636 2/20 0.47
▸ NPC1 O15118 4/20 0.41
▸ RAB9A P51151 4/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ CA1 P00915 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ CA9 Q16790 2/20 0.40
▸ CXCR2 P25025 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 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
SCHEMBL13893964 0.90 MAPT (0.49) LIPEMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL26109550 0.89 POLB (0.50) LIPEMAPTNPC1RAB9APOLB
SCHEMBL15607795 0.88 LIPE (0.61) LIPEMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL30586951 0.88 MEN1 (0.51) LIPEMAPTSMN1; SMN2CXCR2MEN1
SCHEMBL124355 0.88 MEN1 (0.51) LIPEMAPTSMN1; SMN2CXCR2MEN1
SCHEMBL104612 0.87 RAB9A (0.54) LIPEMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL29709477 0.87 RAB9A (0.54) LIPEMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL2995904 0.86 F10 (0.56) LIPEMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL2997564 0.86 LIPE (0.49) LIPEMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL28643584 0.86 NPC1 (0.46) LIPEMAPTNPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 LIPE 4073/4885MAPT 4151/4885NPC1 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.