SCHEMBL213456

SCHEMBL213456

O=C(Nc1nc2ccccc2[nH]1)c1nc[nH]c1C(=O)Nc1cc(Cl)c(Cl)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.50
RAB9A P51151 9/20 0.50
KMT2A Q03164 6/20 0.50
MEN1 O00255 5/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
PKM P14618 2/20 0.48
MAOB P27338 1/20 0.48
ADORA2A P29274 1/20 0.48
MAPT P10636 1/20 0.47
MCL1 Q07820 1/20 0.47
ALDH1A1 P00352 2/20 0.46
CYP1A2 P05177 1/20 0.46
HPGD P15428 1/20 0.46
POLB P06746 1/20 0.45
KLF5 Q13887 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
SCD O00767 1/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL2735330 0.90 NPC1 (0.54) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL215252 0.87 NPC1 (0.45) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL2735335 0.86 RAB9A (0.54) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL2735344 0.85 NPC1 (0.52) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL2735283 0.85 SMN1; SMN2 (0.52) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL2735341 0.85 NPC1 (0.53) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL2735267 0.84 NPC1 (0.52) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL214896 0.84 NPC1 (0.52) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL214740 0.83 NPC1 (0.63) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL213249 0.83 NPC1 (0.50) NPC1RAB9AKMT2AMEN1SMN1; 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 12 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
EP-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 EP 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 2213/4885KMT2A 437/4885

“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.