SCHEMBL213628

SCHEMBL213628

Cc1ccc(NC(=O)c2[nH]c(C)nc2C(=O)Nc2nc3ccccc3[nH]2)c(C)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 14/20 0.56
NPC1 O15118 11/20 0.56
PKM P14618 3/20 0.56
KLF5 Q13887 2/20 0.56
OPRK1 P41145 1/20 0.56
MEN1 O00255 6/20 0.55
KMT2A Q03164 6/20 0.55
SMN1; SMN2 Q16637 6/20 0.52
MAPT P10636 4/20 0.52
RECQL P46063 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.52
AHR P35869 1/20 0.52
HTT P42858 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
IRAK4 Q9NWZ3 1/20 0.49
MAOB P27338 1/20 0.48
ADORA2A P29274 1/20 0.48

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
SCHEMBL2735412 1.00 RAB9A (0.56) RAB9ANPC1PKMKLF5OPRK1
SCHEMBL2759942 0.86 NPC1 (0.54) RAB9ANPC1PKMKLF5OPRK1
SCHEMBL2735385 0.78 NPC1 (0.54) RAB9ANPC1PKMKLF5OPRK1
SCHEMBL28376991 0.78 NPC1 (0.72) RAB9ANPC1PKMKLF5OPRK1
SCHEMBL14222343 0.78 MAPT (0.50) RAB9ANPC1PKMKLF5OPRK1
SCHEMBL4098726 0.78 MAPT (0.52) RAB9ANPC1PKMKLF5OPRK1
SCHEMBL214896 0.77 NPC1 (0.52) RAB9ANPC1PKMKLF5OPRK1
SCHEMBL2735277 0.75 KMT2A (0.59) RAB9ANPC1PKMMEN1KMT2A
SCHEMBL2735268 0.75 GAA (0.65) RAB9ANPC1PKMKLF5OPRK1
SCHEMBL4277480 0.75 MAPT (0.47) RAB9ANPC1MEN1KMT2ASMN1; 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 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 RAB9A 2213/4885NPC1 3307/4885PKM 934/4885

“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.