SCHEMBL481643

SCHEMBL481643

CC1(C)OB(c2ccc(-c3nc4ccccc4[nH]3)cc2)OC1(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.55
RAB9A P51151 10/20 0.55
GAA P10253 1/20 0.55
LPL P06858 2/20 0.54
LIPG Q9Y5X9 2/20 0.54
KDM4E B2RXH2 10/20 0.54
SMN1; SMN2 Q16637 8/20 0.54
ALDH1A1 P00352 8/20 0.54
HPGD P15428 4/20 0.54
MAPT P10636 3/20 0.54
TP53 P04637 2/20 0.54
HSD17B10 Q99714 2/20 0.54
POLB P06746 2/20 0.54
GFER P55789 1/20 0.54
PKM P14618 6/20 0.54
HDAC6 Q9UBN7 1/20 0.54
PKN1 Q16512 1/20 0.51
PKN2 Q16513 1/20 0.51
MMP2 P08253 1/20 0.51
MMP9 P14780 1/20 0.51

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
SCHEMBL29653942 0.85 KDM4E (0.53) NPC1RAB9AGAAKDM4ESMN1; SMN2
SCHEMBL16062202 0.84 LPL (0.51) NPC1RAB9AGAALPLLIPG
SCHEMBL3765301 0.84 NPC1 (0.52) NPC1RAB9AGAALPLLIPG
SCHEMBL25320624 0.82 TNKS (0.61) NPC1RAB9ALPLLIPGKDM4E
SCHEMBL5505496 0.81 NPC1 (0.57) NPC1RAB9AGAAKDM4ESMN1; SMN2
SCHEMBL10326353 0.79 NPBWR1 (0.51) LPLLIPG
SCHEMBL29386825 0.78 NPC1 (0.88) NPC1RAB9AGAAKDM4ESMN1; SMN2
SCHEMBL2178266 0.78 NPC1 (0.88) NPC1RAB9AGAAKDM4ESMN1; SMN2
SCHEMBL15064475 0.77 LTA4H (0.46) NPC1RAB9ALPLLIPGKDM4E
SCHEMBL3446842 0.77 ALDH1A1 (0.46) NPC1RAB9AGAALPLLIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2457913-B1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARM LLC (US) 2017-04-19 EP disclosed
EP-2090577-B1 Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors SIGNAL PHARM LLC (US) 2017-04-05 EP disclosed
US-8372976-B2 Methods of treatment comprising the administration of heteroaryl compounds SIGNAL PHARMACEUTICALS, LLC (US) 2013-02-12 US disclosed
EP-2457913-A2 Heteroaryl compounds, compositions thereof, and methods of treatment therewith Signal Pharmaceuticals LLC (US) 2012-05-30 EP disclosed
EP-2078016-B1 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2012-02-01 EP disclosed
US-20110245245-A1 METHODS OF TREATMENT COMPRISING THE ADMINISTRATION OF HETEROARYL COMPOUNDS SIGNAL PHARMACEUTICALS, LLC 2011-10-06 US disclosed
US-7981893-B2 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2011-07-19 US disclosed
EP-2090577-A2 Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors Signal Pharmaceuticals LLC (US) 2009-08-19 EP disclosed
EP-2078016-A2 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH Signal Pharmaceuticals LLC (US) 2009-07-15 EP disclosed
US-20090023724-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC 2009-01-22 US disclosed
WO-2008051493-A2 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND THEIR USE AS PROTEIN KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2008-05-02 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 (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-20110245245-A1 METHODS OF TREATMENT COMPRISING THE ADMINISTRATION OF HETEROARYL COMPOUNDS JAK2, GLS2, NFKBIA NPC1 637/4885RAB9A 2099/4885GAA 1009/4885
US-20090023724-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith JAK2, PHKG1, PHKG2 NPC1 1073/4885RAB9A 1962/4885GAA 986/4885

“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.