SCHEMBL213249

SCHEMBL213249

O=C(Nc1nc2ccccc2[nH]1)c1nc[nH]c1C(=O)Nc1ccccc1Br

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.50
RAB9A P51151 9/20 0.50
MEN1 O00255 6/20 0.50
KMT2A Q03164 6/20 0.50
PKM P14618 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
MAOB P27338 1/20 0.50
ADORA2A P29274 1/20 0.50
CYP1A2 P05177 1/20 0.50
GAA P10253 2/20 0.47
RXFP1 Q9HBX9 1/20 0.47
TP53 P04637 2/20 0.46
LMNA P02545 2/20 0.46
SCD O00767 1/20 0.46
OPRK1 P41145 1/20 0.46
KLF5 Q13887 1/20 0.46
KDM4E B2RXH2 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL214740 0.87 NPC1 (0.63) NPC1RAB9AMEN1KMT2APKM
SCHEMBL2735268 0.87 GAA (0.65) NPC1RAB9AMEN1KMT2APKM
SCHEMBL2735295 0.86 MEN1 (0.50) NPC1RAB9AMEN1KMT2APKM
SCHEMBL2735292 0.85 NPC1 (0.51) NPC1RAB9AMEN1KMT2APKM
SCHEMBL2735350 0.85 NPC1 (0.51) NPC1RAB9AMEN1KMT2APKM
SCHEMBL213527 0.85 RAB9A (0.61) NPC1RAB9AMEN1KMT2APKM
SCHEMBL14222681 0.85 MEN1 (0.48) NPC1RAB9AMEN1KMT2APKM
SCHEMBL2735272 0.85 ALDH1A1 (0.54) NPC1RAB9AMEN1KMT2APKM
SCHEMBL2735274 0.85 NPC1 (0.51) NPC1RAB9AMEN1KMT2APKM
SCHEMBL2735338 0.85 KMT2A (0.50) NPC1RAB9AMEN1KMT2APKM

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
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
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 2213/4885MEN1 3504/4885

“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.