SCHEMBL4985659

SCHEMBL4985659

CCN(CC)C(=O)C(NCc1ccc2nc(N)ccc2c1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ PLAU P00749 3/20 0.42
▸ NOS1 P29475 6/20 0.39
▸ MEP1B Q16820 2/20 0.37
▸ BACE1 P56817 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CCR2 P41597 1/20 0.35
▸ OGT O15294 1/20 0.35
▸ MTTP P55157 1/20 0.35

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
SCHEMBL4985651 0.88 MEN1 (0.41) MEN1KMT2AMEP1BSMN1; SMN2CCR2
SCHEMBL5664871 0.87 PLAU (0.38) PLAUNOS1
SCHEMBL4986155 0.79 PLAU (0.40) MEN1KMT2APLAUNOS1BACE1
SCHEMBL5664693 0.76 PLAU (0.40) PLAUNOS1MTTP
SCHEMBL5664866 0.75 KLKB1 (0.40) MEN1KMT2A
SCHEMBL13993523 0.75 MTTP (0.62) MTTP
SCHEMBL5666773 0.72 MTTP (0.53) MTTP
SCHEMBL5669411 0.71 TLR2 (0.39) PLAUSMN1; SMN2
SCHEMBL3228150 0.68 MTTP (0.70) MTTP
SCHEMBL5009972 0.67 PLAU (0.40) PLAU

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-7468378-B2 Substituted quinoline compounds PFIZER INC. (US) 2008-12-23 — — US disclosed
US-7393958-B2 Triamide-substituted heterobicyclic compounds PFIZER, INC. (US) 2008-07-01 — — US disclosed
US-7368573-B2 Triamide-substituted heterobicyclic compounds PFIZER INC. (US) 2008-05-06 — — US disclosed
US-20070093525-A1 Triamide-substituted heterobicyclic compounds PFIZER INC 2007-04-26 — — US disclosed
US-20060223851-A1 TRIAMIDE-SUBSTITUTED HETEROBICYCLIC COMPOUNDS BERTINATO PETER 2006-10-05 — — US disclosed
US-20050234099-A1 Substituted quinoline compounds PFIZER INC 2005-10-20 — — 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 (3 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-20050234099-A1 Substituted quinoline compounds APOB, APOL1, MTPN MEN1 1437/4885KMT2A 3968/4885PLAU 3855/4885
US-20060223851-A1 TRIAMIDE-SUBSTITUTED HETEROBICYCLIC COMPOUNDS APOB, MTPN, CTRB1 MEN1 1637/4885KMT2A 4384/4885PLAU 2987/4885
US-20070093525-A1 Triamide-substituted heterobicyclic compounds APOB, MTPN, CTRB1 MEN1 1637/4885KMT2A 4384/4885PLAU 2987/4885

“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.

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