SCHEMBL213499

SCHEMBL213499

COc1cccc(C)c1N(C(=O)c1nc[nH]c1C(N)=O)c1nc2ccccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
HSD17B10 Q99714 1/20 0.38
NPC1 O15118 5/20 0.37
RAB9A P51151 5/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
TP53 P04637 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
HPGD P15428 1/20 0.37
HSP90AA1 P07900 1/20 0.36
PKM P14618 1/20 0.36
PAX8 Q06710 1/20 0.36
ATP4A P20648 1/20 0.36
ATP4B P51164 1/20 0.36
PARP1 P09874 1/20 0.35
MPO P05164 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL215675 0.94 POLB (0.44) POLBHSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL214035 0.90 POLB (0.41) POLBHSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL217154 0.86 POLB (0.36) POLBHSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL214715 0.84 POLB (0.40) POLBNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL215596 0.83 POLB (0.38) POLBNPC1RAB9ASMN1; SMN2TP53
SCHEMBL213459 0.83 POLB (0.36) POLBSMN1; SMN2TP53KMT2AALDH1A1
SCHEMBL216562 0.82 POLB (0.64) POLBNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL215133 0.82 POLB (0.38) POLBNPC1RAB9ATP53KMT2A
SCHEMBL214977 0.82 POLB (0.38) POLBNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL216365 0.82 POLB (0.50) POLBHSD17B10NPC1RAB9ASMN1; 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 8 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-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 POLB 3464/4885HSD17B10 3514/4885NPC1 3307/4885

“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.