SCHEMBL2170892

SCHEMBL2170892

CN(C)C(=O)N(c1cn[nH]c1)c1ccccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
TP53 P04637 1/20 0.36
KMT2A Q03164 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MAPT P10636 2/20 0.35
POLB P06746 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
MCL1 Q07820 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
PTGIR P43119 1/20 0.34
ROCK2 O75116 1/20 0.34
NPC1 O15118 1/20 0.33

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
SCHEMBL2169266 0.85 HTT (0.41) HTTNPSR1TP53KMT2AL3MBTL1
SCHEMBL2170751 0.83 OPRM1 (0.38) HTTNPSR1POLBPTGIRNPC1
SCHEMBL2169727 0.81 TSHR (0.47) HTTNPSR1TP53KMT2AL3MBTL1
SCHEMBL2170336 0.78 PTGIR (0.36) HTTNPSR1TP53MAPTPOLB
SCHEMBL30063394 0.78 L3MBTL1 (0.47) KMT2AL3MBTL1KDM4EMEN1ALDH1A1
SCHEMBL2171361 0.76 ALDH1A1 (0.40) POLBALDH1A1ROCK2
SCHEMBL2169501 0.75 POLB (0.36) HTTNPSR1TP53KMT2AMAPT
SCHEMBL2172302 0.72 HSD11B1 (0.38) HTTNPSR1KMT2AMAPTALDH1A1
SCHEMBL761923 0.71 CYP2D6 (0.46) HTTNPSR1KMT2AL3MBTL1POLB
SCHEMBL10668533 0.70 NPSR1 (0.63) HTTNPSR1TP53KMT2AL3MBTL1

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
US-20130281455-A1 Phenylpyri(mi)dinylazoles BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-10-24 US disclosed
US-20110183978-A1 Phenylpyri(mi)dinylazoles BAYER CROPSCIENCE AG (DE) 2011-07-28 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 (2 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-20130281455-A1 Phenylpyri(mi)dinylazoles PIR, PIN4, PNN HTT 2589/4885NPSR1 3310/4885TP53 529/4885
US-20110183978-A1 Phenylpyri(mi)dinylazoles PIR, PIN4, PNN HTT 2589/4885NPSR1 3310/4885TP53 529/4885

“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.