SCHEMBL213907

SCHEMBL213907

NC(=O)c1[nH]cnc1C(=O)N(CC1CCCCC1)c1nc2ccccc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
CHEK2 O96017 2/20 0.39
SYK P43405 2/20 0.39
LRRK2 Q5S007 2/20 0.39
TSSK3 Q96PN8 2/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
TDP1 Q9NUW8 3/20 0.36
POLB P06746 2/20 0.36
LMNA P02545 1/20 0.35
PAX8 Q06710 1/20 0.35
APEX1 P27695 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL215116 0.84 MEN1 (0.43) NPC1RAB9ASMN1; SMN2CHEK2SYK
SCHEMBL213971 0.82 PAX8 (0.43) NPC1RAB9ASMN1; SMN2KMT2ATDP1
SCHEMBL213584 0.80 CYP1A2 (0.38) POLBLMNAPAX8L3MBTL1KDM4E
SCHEMBL213808 0.79 CHEK2 (0.38) NPC1RAB9ASMN1; SMN2CHEK2SYK
SCHEMBL215700 0.79 SMN1; SMN2 (0.40) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL213720 0.79 ALDH1A1 (0.41) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL215770 0.78 USP30 (0.38) SMN1; SMN2CHEK2SYKLRRK2TSSK3
SCHEMBL216608 0.77 CASR (0.46) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL214774 0.77 PAX8 (0.39) SMN1; SMN2CHEK2SYKLRRK2TSSK3
SCHEMBL216144 0.77 SMN1; SMN2 (0.42) NPC1RAB9ASMN1; SMN2CHEK2MEN1

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 6 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

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 2213/4885SMN1; SMN2 2516/4885

“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.