SCHEMBL214220

SCHEMBL214220

Cc1ccccc1N(C)C(=O)c1nc[nH]c1C(=O)Nc1nc2ccccc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 15/20 0.50
RAB9A P51151 14/20 0.50
PKM P14618 7/20 0.48
KLF5 Q13887 2/20 0.48
OPRK1 P41145 1/20 0.48
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
SMN1; SMN2 Q16637 5/20 0.46
MAOB P27338 1/20 0.46
ADORA2A P29274 1/20 0.46
LMNA P02545 2/20 0.46
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 2/20 0.44
HSP90AA1 P07900 1/20 0.43
PAX8 Q06710 1/20 0.43
TP53 P04637 2/20 0.43
SCD O00767 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL2735268 0.82 GAA (0.65) NPC1RAB9APKMKLF5OPRK1
SCHEMBL216809 0.82 RAB9A (0.52) NPC1RAB9APKMKLF5OPRK1
SCHEMBL2735280 0.79 GAA (0.55) NPC1RAB9APKMKLF5OPRK1
SCHEMBL213366 0.78 RAB9A (0.57) NPC1RAB9APKMKLF5OPRK1
SCHEMBL2759984 0.78 NPC1 (0.53) NPC1RAB9APKMKLF5OPRK1
SCHEMBL2759975 0.78 SMN1; SMN2 (0.50) NPC1RAB9APKMKLF5OPRK1
SCHEMBL2735296 0.78 MAPT (0.68) NPC1RAB9APKMKLF5OPRK1
SCHEMBL2759942 0.77 NPC1 (0.54) NPC1RAB9APKMKLF5OPRK1
SCHEMBL2735385 0.77 NPC1 (0.54) NPC1RAB9APKMKLF5OPRK1
SCHEMBL2735275 0.76 SMN1; SMN2 (0.46) NPC1RAB9APKMKLF5OPRK1

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
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US claimed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US claimed
EP-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 EP claimed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 WO claimed
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 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-20100136136-A1 JAK-2 Modulators and Methods of Use JAK2, JAK1, JAK3 NPC1 3307/4885RAB9A 2213/4885PKM 934/4885

“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.