SCHEMBL2117043

SCHEMBL2117043

CN(C)C(=N)c1nc2ncccn2n1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 3/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 2/20 0.43
KDM4E B2RXH2 1/20 0.42
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
HPGD P15428 3/20 0.38
USP2 O75604 1/20 0.37
MAPT P10636 2/20 0.37
THRB P10828 1/20 0.36
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
PDE10A Q9Y233 1/20 0.36
TP53 P04637 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
SCHEMBL4158096 0.77 MEN1 (0.57) MEN1KMT2AALDH1A1TSHRHSD17B10
SCHEMBL17324580 0.76 ALDH1A1 (0.55) MEN1KMT2AALDH1A1TSHRHSD17B10
SCHEMBL9101730 0.72 ALDH1A1 (0.55) MEN1KMT2AALDH1A1TSHRHSD17B10
SCHEMBL17321394 0.72 ALDH1A1 (0.51) MEN1KMT2AALDH1A1TSHRHSD17B10
SCHEMBL2668952 0.70 PDE10A (0.47) MEN1KMT2AALDH1A1TSHRHSD17B10
SCHEMBL7195074 0.69 PDE10A (0.45) MEN1KMT2AALDH1A1TSHRHSD17B10
SCHEMBL20250778 0.68 MEN1 (0.47) MEN1KMT2AALDH1A1TSHRHSD17B10
SCHEMBL9933090 0.65 PDE10A (0.45) MEN1KMT2AALDH1A1TSHRHSD17B10
SCHEMBL21389568 0.65 PDE10A (0.45) MEN1KMT2AALDH1A1TSHRHSD17B10
SCHEMBL858832 0.65 MAP4K4 (0.46) MEN1KMT2AALDH1A1TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120095025-A1 SUBSTITUTED [1,2,4]TRIAZOLO[1,5-a]PYRIMIDINES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2012-04-19 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-20120095025-A1 SUBSTITUTED [1,2,4]TRIAZOLO[1,5-a]PYRIMIDINES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNJ11, KCNJ1 MEN1 2978/4885KMT2A 1087/4885ALDH1A1 877/4885

“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.