SCHEMBL3403300

SCHEMBL3403300

CC(C)CN(C(=O)Nc1ccncc1)c1ccc2nc(S)sc2n1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
LMNA P02545 2/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
THRB P10828 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GALR3 O60755 1/20 0.32
HSP90AA1 P07900 1/20 0.32
SORT1 Q99523 1/20 0.32
NPY5R Q15761 1/20 0.32
AAK1 Q2M2I8 1/20 0.32
EPHX2 P34913 1/20 0.32
MDM2 Q00987 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
BCHE P06276 1/20 0.31
ROCK2 O75116 1/20 0.31
ROCK1 Q13464 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL3407695 0.88 KMT2A (0.38) MAPTLMNAEPHX2MDM2SMN1; SMN2
SCHEMBL3407702 0.88 MCHR1 (0.39) MAPTLMNAEPHX2
SCHEMBL3404213 0.88 MAPT (0.35) MAPTPOLBEPHX2SMN1; SMN2RAB9A
SCHEMBL3406810 0.86 F2R (0.38) MAPTLMNAPOLBTHRBEPHX2
SCHEMBL3405074 0.85 CA1 (0.42) MAPTLMNA
SCHEMBL3410353 0.84 KMT2A (0.35) MAPTLMNATHRBNPSR1EPHX2
SCHEMBL3408188 0.84 MAPT (0.39) MAPTLMNATP53POLBNPY5R
SCHEMBL3403825 0.84 KDM4E (0.33) MAPTLMNAPOLBNPSR1SMN1; SMN2
SCHEMBL3409999 0.83 ATM (0.34) MAPTPOLBNPSR1SMN1; SMN2
SCHEMBL3405799 0.82 MAPT (0.38) MAPTLMNAPOLBNPY5RMDM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1370260-B1 AZOLES AS MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI PHARMACEUTICAL CO LTD (JP) 2010-11-24 EP claimed
US-20040092503-A1 Azoles as malonyl-coa decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-05-13 US claimed

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-20040092503-A1 Azoles as malonyl-coa decarboxylase inhibitors useful as metabolic modulators ME1, ME3, ME2 MAPT 3030/4885LMNA 4406/4885TP53 2618/4885

“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.