SCHEMBL215549

SCHEMBL215549

Cc1ccc(NC(=O)c2ncn(-c3nc4cc(Cl)ccc4[nH]3)c2C(N)=O)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 4/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 3/20 0.39
S1PR4 O95977 1/20 0.38
TAS1R3 Q7RTX0 2/20 0.38
TAS1R1 Q7RTX1 2/20 0.38
TAS1R2 Q8TE23 2/20 0.38
PYGL P06737 1/20 0.37
NPY1R P25929 1/20 0.37
NPY2R P49146 1/20 0.37
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
AHR P35869 1/20 0.36
HTT P42858 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
SCHEMBL217226 0.89 MEN1 (0.48) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL214938 0.85 MAPT (0.47) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL214895 0.83 MAPT (0.41) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL216491 0.83 NTRK1 (0.47) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL215084 0.82 MAPT (0.43) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL214963 0.81 LMNA (0.41) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL215203 0.81 STK33 (0.40) NPC1RAB9AKMT2AALDH1A1MAPT
SCHEMBL214714 0.80 MAPT (0.44) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL213500 0.79 NTRK1 (0.50) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL214151 0.79 NPC1 (0.37) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1

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
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 2213/4885SMN1; 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.