SCHEMBL214836

SCHEMBL214836

CC(C)COC(=O)N1CCC(Oc2ccc(NC(=O)c3[nH]cnc3C(=O)Nc3nc4ccccc4[nH]3)c(Cl)c2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
KLF5 Q13887 1/20 0.38
GPR119 Q8TDV5 3/20 0.38
USP2 O75604 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 6/20 0.36
KMT2A Q03164 6/20 0.36
MAPT P10636 5/20 0.36
ALDH1A1 P00352 5/20 0.36
NPSR1 Q6W5P4 3/20 0.36
POLB P06746 2/20 0.36
MAPK1 P28482 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PTGDR Q13258 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PKM P14618 1/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL3990647 0.92 KMT2A (0.40) NPC1RAB9AKLF5GPR119USP2
SCHEMBL3986608 0.90 MAPT (0.42) NPC1RAB9AKLF5KMT2AMAPT
SCHEMBL214565 0.89 ALPL (0.45) L3MBTL1MEN1KMT2AMAPTALDH1A1
SCHEMBL3991931 0.88 HRH4 (0.38) GPR119USP2MEN1KMT2AMAPT
SCHEMBL2735435 0.88 NPC1 (0.40) NPC1RAB9AKLF5MEN1KMT2A
SCHEMBL216248 0.87 RAB9A (0.41) NPC1RAB9AKLF5MEN1KMT2A
SCHEMBL216196 0.87 ALDH1A1 (0.44) NPC1RAB9AUSP2L3MBTL1MEN1
SCHEMBL214514 0.86 MEN1 (0.38) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL2735434 0.85 MEN1 (0.37) NPC1RAB9AKLF5MEN1KMT2A
SCHEMBL214471 0.84 KDM1A (0.42) NPC1RAB9AKLF5MEN1KMT2A

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 4 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 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 2213/4885KLF5 1370/4885

“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.