SCHEMBL2169727

SCHEMBL2169727

O=C(c1ccccc1)N(c1cn[nH]c1)c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
TP53 P04637 2/20 0.44
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
THRB P10828 1/20 0.40
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
ALDH1A1 P00352 4/20 0.37
KMT2A Q03164 4/20 0.37
MEN1 O00255 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PTGIR P43119 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.36
POLB P06746 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPK1 P28482 1/20 0.36
LMNA P02545 1/20 0.36

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 0.87 HTT (0.41) TSHRTP53HTTNPSR1SMN1; SMN2
SCHEMBL3831838 0.82 TSHR (0.56) TSHRTP53HTTNPSR1SMN1; SMN2
SCHEMBL2170892 0.81 HTT (0.39) TP53HTTNPSR1SMN1; SMN2ALDH1A1
SCHEMBL2170751 0.80 OPRM1 (0.38) HTTNPSR1SMN1; SMN2PTGIRTRPM8
SCHEMBL2170336 0.73 PTGIR (0.36) TP53HTTNPSR1SMN1; SMN2PTGIR
SCHEMBL2171361 0.73 ALDH1A1 (0.40) ALDH1A1POLB
SCHEMBL2170330 0.73 ALDH1A1 (0.37) ALDH1A1KMT2AMEN1
SCHEMBL2169501 0.73 POLB (0.36) TP53HTTNPSR1SMN1; SMN2THRB
SCHEMBL30063394 0.72 L3MBTL1 (0.47) TSHRSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL2172302 0.72 HSD11B1 (0.38) HTTNPSR1ALDH1A1KMT2ANPC1

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 TSHR 3792/4885TP53 529/4885HTT 2589/4885
US-20110183978-A1 Phenylpyri(mi)dinylazoles PIR, PIN4, PNN TSHR 3792/4885TP53 529/4885HTT 2589/4885

“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.