SCHEMBL216364

SCHEMBL216364

COc1cccc(NC(=O)c2ncn(-c3nc4ccccc4[nH]3)c2C(N)=O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 2/20 0.49
FLT3 P36888 2/20 0.49
COMT P21964 1/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 2/20 0.47
PKM P14618 1/20 0.47
MAPT P10636 6/20 0.46
HTT P42858 3/20 0.46
KMT2A Q03164 5/20 0.46
GRM4 Q14833 1/20 0.44
MEN1 O00255 4/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 2/20 0.44
MAPK10 P53779 1/20 0.44
HSD17B10 Q99714 1/20 0.44
LMNA P02545 2/20 0.44
HIF1A Q16665 2/20 0.44
HPGD P15428 1/20 0.44
KDM4E B2RXH2 2/20 0.43

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
SCHEMBL216561 0.90 MAPT (0.49) FLT3COMTSMN1; SMN2NPC1RAB9A
SCHEMBL215784 0.88 MPO (0.49) NTRK1FLT3COMTSMN1; SMN2NPC1
SCHEMBL213393 0.87 MAPT (0.46) NTRK1SMN1; SMN2NPC1RAB9APKM
SCHEMBL215674 0.86 LMNA (0.47) SMN1; SMN2NPC1RAB9APKMMAPT
SCHEMBL214139 0.86 MAPT (0.49) NTRK1SMN1; SMN2NPC1RAB9APKM
SCHEMBL214763 0.86 NTRK1 (0.49) NTRK1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL216093 0.86 MAPT (0.49) NTRK1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL213759 0.86 FADS1 (0.42) COMTSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL214042 0.85 MAPT (0.43) NTRK1SMN1; SMN2NPC1RAB9APKM
SCHEMBL213518 0.85 SMN1; SMN2 (0.52) SMN1; SMN2KMT2AMEN1ALDH1A1HPGD

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 NTRK1 2514/4885FLT3 42/4885COMT 3463/4885

“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.