SCHEMBL12926176

SCHEMBL12926176

NC(=P)c1cccnc1Nc1cccc(-c2cn3ncccc3n2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPT P10636 4/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KCNH2 Q12809 1/20 0.40
MAP4K2 Q12851 2/20 0.38
SYK P43405 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
KDM4E B2RXH2 2/20 0.38
POLB P06746 1/20 0.38
PKM P14618 2/20 0.37
MAPK1 P28482 2/20 0.37
DHODH Q02127 2/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
HTT P42858 1/20 0.37
GMNN O75496 1/20 0.37
TTR P02766 1/20 0.37

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
SCHEMBL44141 0.91 LMNA (0.56) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL43813 0.87 LMNA (0.54) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL43820 0.83 PDE4D (0.43) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL44135 0.83 MEN1 (0.42) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL38941 0.82 SMN1; SMN2 (0.47) LMNAMEN1KMT2AALDH1A1SYK
SCHEMBL44934 0.81 AAK1 (0.46) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL44514 0.81 AAK1 (0.48) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL39292 0.80 SMN1; SMN2 (0.56) LMNAALDH1A1MAPTKCNH2SMN1; SMN2
SCHEMBL45335 0.72 ALDH1A1 (0.50) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL44718 0.72 MAP4K2 (0.45) LMNAMEN1KMT2AALDH1A1MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7868001-B2 Cytokine inhibitors HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2011-01-11 US disclosed
US-7868001-B2 Cytokine inhibitors HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2011-01-11 US disclosed
US-20090118292-A1 such as 2-(3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl)imidazo[1,2-b]pyridazine, used for decreasing the levels of tumor necrosis factors or interleukines; treatment of inflammation, autoimmune diseases, diabetes, atherosclerosis and cancer HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (CN) 2009-05-07 US disclosed
US-20090118292-A1 such as 2-(3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl)imidazo[1,2-b]pyridazine, used for decreasing the levels of tumor necrosis factors or interleukines; treatment of inflammation, autoimmune diseases, diabetes, atherosclerosis and cancer HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (CN) 2009-05-07 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-20090118292-A1 such as 2-(3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl)imidazo[1,2-b]pyridazine, used for decreasing the levels of tumor necrosis factors or interleukines; treatment of inflammation, autoimmune diseases, diabetes, atherosclerosis and cancer IL1B, IL1A, IL17A LMNA 2595/4885MEN1 1030/4885KMT2A 3131/4885

“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.