SCHEMBL215252

SCHEMBL215252

O=C(Nc1nc2ccccc2[nH]1)c1nc[nH]c1C(=O)Nc1cc(CO)ccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.45
RAB9A P51151 8/20 0.45
KMT2A Q03164 6/20 0.45
MEN1 O00255 5/20 0.45
PKM P14618 2/20 0.45
KDM4E B2RXH2 2/20 0.45
KLF5 Q13887 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
MAPT P10636 2/20 0.45
MCL1 Q07820 1/20 0.45
MAOB P27338 1/20 0.43
ADORA2A P29274 1/20 0.43
ALDH1A1 P00352 3/20 0.43
POLB P06746 1/20 0.43
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42

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 0.89 NPC1 (0.54) NPC1RAB9AKMT2AMEN1PKM
SCHEMBL213456 0.87 NPC1 (0.50) NPC1RAB9AKMT2AMEN1PKM
SCHEMBL2735335 0.85 RAB9A (0.54) NPC1RAB9AKMT2AMEN1PKM
SCHEMBL2735423 0.84 RAB9A (0.50) NPC1RAB9AKMT2AMEN1PKM
SCHEMBL2735344 0.81 NPC1 (0.52) NPC1RAB9AKMT2AMEN1PKM
SCHEMBL2735283 0.80 SMN1; SMN2 (0.52) NPC1RAB9AKMT2AMEN1PKM
SCHEMBL2735341 0.80 NPC1 (0.53) NPC1RAB9AKMT2AMEN1PKM
SCHEMBL214896 0.80 NPC1 (0.52) NPC1RAB9AKMT2AMEN1PKM
SCHEMBL2735267 0.80 NPC1 (0.52) NPC1RAB9AKMT2AMEN1PKM
SCHEMBL2735272 0.79 ALDH1A1 (0.54) NPC1RAB9AKMT2AMEN1PKM

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.