SCHEMBL213366

SCHEMBL213366

Cc1cc(C)c(NC(=O)c2[nH]cnc2C(=O)Nc2nc3ccccc3[nH]2)c(C)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.57
NPC1 O15118 5/20 0.57
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
PKM P14618 2/20 0.53
OPRK1 P41145 1/20 0.53
KLF5 Q13887 1/20 0.53
MAPT P10636 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAOB P27338 1/20 0.48
ADORA2A P29274 1/20 0.48
LMNA P02545 3/20 0.47
LCK P06239 1/20 0.47
IRAK4 Q9NWZ3 1/20 0.47
TP53 P04637 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
RECQL P46063 1/20 0.46
GAA P10253 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
SCHEMBL216809 0.92 RAB9A (0.52) RAB9ANPC1MEN1KMT2APKM
SCHEMBL2759942 0.88 NPC1 (0.54) RAB9ANPC1MEN1KMT2APKM
SCHEMBL2735385 0.86 NPC1 (0.54) RAB9ANPC1MEN1KMT2APKM
SCHEMBL2735296 0.85 MAPT (0.68) RAB9ANPC1MEN1KMT2APKM
SCHEMBL2735268 0.85 GAA (0.65) RAB9ANPC1MEN1KMT2APKM
SCHEMBL2759975 0.85 SMN1; SMN2 (0.50) RAB9ANPC1MEN1KMT2APKM
SCHEMBL2759984 0.85 NPC1 (0.53) RAB9ANPC1MEN1KMT2APKM
SCHEMBL2735286 0.85 MAPT (0.72) RAB9ANPC1MEN1KMT2APKM
SCHEMBL2735384 0.84 SMN1; SMN2 (0.47) RAB9ANPC1MEN1KMT2APKM
SCHEMBL216501 0.84 RAB9A (0.53) RAB9ANPC1MEN1KMT2APKM

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 13 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
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 RAB9A 2213/4885NPC1 3307/4885MEN1 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.