SCHEMBL2997564

SCHEMBL2997564

Cc1c(NC(=O)c2ccc(C(C)(C)O)cc2)cccc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 9/20 0.49
MAPT P10636 3/20 0.45
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
GAA P10253 1/20 0.45
MAPK1 P28482 1/20 0.45
PPARG P37231 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
BTK Q06187 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RECQL P46063 1/20 0.39
DHPS P49366 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL29709477 0.92 RAB9A (0.54) LIPEMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL104612 0.92 RAB9A (0.54) LIPEMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL13765533 0.89 LIPE (0.51) LIPEMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL15607795 0.88 LIPE (0.61) LIPEMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL13893964 0.88 MAPT (0.49) LIPEMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL13765538 0.88 LIPE (0.52) LIPEMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL16333710 0.87 LIPE (0.46) LIPEMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL26109550 0.87 POLB (0.50) LIPEMAPTNPC1RAB9AMAPK1
SCHEMBL28643584 0.86 NPC1 (0.46) LIPEMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL30586951 0.86 MEN1 (0.51) LIPEMAPTSMN1; SMN2ALDH1A1

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 6 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-7943618-B2 Btk protein kinase inhibitors ROCHE PALO ALTO LLC (US) 2011-05-17 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
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
US-20090105209-A1 BTK protein kinase inhibitors ROCHE PALO ALTO LLC 2009-04-23 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-20090186898-A1 Inhibitors of bruton's tyrosine kinase BTK, SYK, LYN LIPE 4073/4885MAPT 4151/4885NPC1 4614/4885
US-20090105209-A1 BTK protein kinase inhibitors BTK, SYK, LYN LIPE 4032/4885MAPT 3889/4885NPC1 4365/4885

“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.