Methylamine

Methylamine

SCHEMBL1981809

CN.O=C(NCc1ccccc1)c1nccc2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)cc12

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.52
SCN2A Q99250 1/20 0.44
SCN10A Q9Y5Y9 1/20 0.44
ABCB1 P08183 1/20 0.44
KMT2A Q03164 1/20 0.44
TP53 P04637 4/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.43
THRB P10828 2/20 0.43
MAPK1 P28482 1/20 0.43
USP36 Q9P275 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
SCHEMBL12803268 0.88 KLKB1 (0.49) KMT2ATP53LMNATHRBMAPK1
SCHEMBL12803747 0.88 KMT2A (0.47) CNR1KMT2ATP53LMNATHRB
Hydrochloric Acid SCHEMBL1981812 0.87 KLKB1 (0.48) KMT2ATP53LMNATHRBMAPK1
SCHEMBL12803421 0.87 KLKB1 (0.48) KMT2ATP53LMNAMAPK1
Hydrochloric Acid SCHEMBL12803552 0.86 KLKB1 (0.47) KMT2ATP53LMNAMAPK1
SCHEMBL12597695 0.83 NAMPT (0.49) KMT2ATP53KDM4E
Methylamine SCHEMBL3780610 0.83 MALT1 (0.44) CNR1SCN2ASCN10AKMT2ALMNA
SCHEMBL1989986 0.83 LMNA (0.41) CNR1KMT2ATP53LMNAHTT
SCHEMBL1981617 0.82 PIK3CD (0.43) KMT2ATP53LMNA
SCHEMBL3790086 0.80 TP53 (0.44) TP53LMNAHTTTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2513059-A1 INHIBITORS OF AKT ACTIVITY Merck Sharp & Dohme Corp. (US) 2012-10-24 EP disclosed
US-20120252806-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME CORP. 2012-10-04 US disclosed
WO-2011075383-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME CORP. (US) 2011-06-23 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-20120252806-A1 INHIBITORS OF AKT ACTIVITY PIK3CD, PIK3CA, PIK3CG CNR1 4522/4885SCN2A 3258/4885SCN10A 3474/4885

“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.