SCHEMBL213186

SCHEMBL213186

Nc1ccc(OCc2ccncc2)cc1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.49
NOS1 P29475 1/20 0.49
NOS2 P35228 1/20 0.49
CYP17A1 P05093 1/20 0.49
CYP19A1 P11511 1/20 0.49
CYP11B1 P15538 1/20 0.49
CYP11B2 P19099 1/20 0.49
NR4A1 P22736 1/20 0.45
MAOA P21397 2/20 0.45
CYP3A4 P08684 2/20 0.43
AR P10275 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
TLR4 O00206 1/20 0.43
TLR2 O60603 1/20 0.43
MAOB P27338 2/20 0.42
F2 P00734 1/20 0.42

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
SCHEMBL13577137 0.85 SMN1; SMN2 (0.46) NOS3NOS1NOS2MAOACYP3A4
SCHEMBL4473165 0.81 MAOB (0.63) MAOACYP3A4SMN1; SMN2MAOBGAA
SCHEMBL30040891 0.81 MAOB (0.63) MAOACYP3A4SMN1; SMN2MAOBGAA
SCHEMBL4317422 0.80 F9 (0.55) NOS1NOS2CYP19A1CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL9124176 0.80 MAOB (0.61) MAOACYP3A4SMN1; SMN2MAOBGAA
SCHEMBL3182484 0.79 MAOB (0.66) NOS3NOS1NOS2CYP17A1CYP19A1
SCHEMBL214372 0.79 MAPT (0.62) CYP19A1CYP11B1CYP11B2CYP3A4MEN1
SCHEMBL5087372 0.79 MAOB (0.61) MAOAMAOB
SCHEMBL5090273 0.79 MAOB (0.66) MAOASMN1; SMN2MEN1KMT2AMAOB
SCHEMBL5090229 0.79 MAOB (0.56) MAOACYP3A4SMN1; SMN2MAPK1MAOB

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 9 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-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
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
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 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
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 NOS3 1892/4885NOS1 2036/4885NOS2 695/4885

“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.