SCHEMBL2169550

SCHEMBL2169550

COCC(=O)N(c1cn[nH]c1)c1ccc(C(F)(F)F)cn1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 2/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 1/20 0.35
LMNA P02545 1/20 0.35
LIPE Q05469 2/20 0.35
SCN9A Q15858 3/20 0.35
KMT2A Q03164 1/20 0.35
TRPM8 Q7Z2W7 2/20 0.34
DGAT1 O75907 1/20 0.34
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
SCN10A Q9Y5Y9 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
SCHEMBL2170336 0.70 PTGIR (0.36) PTGIRKDM4EPOLBGAASMN1; SMN2
SCHEMBL27471312 0.68 POLB (0.42) L3MBTL1POLBGAASMN1; SMN2HPGD
SCHEMBL2170751 0.66 OPRM1 (0.38) PTGIRPOLBGAASMN1; SMN2TRPM8
SCHEMBL14300714 0.66 PTGIR (0.55) PTGIRL3MBTL1KDM4EPOLBGAA
SCHEMBL27471321 0.65 GAA (0.39) L3MBTL1KDM4EPOLBGAASMN1; SMN2
SCHEMBL7981765 0.62 PTGIR (0.49) PTGIRKDM4EPOLBGAASMN1; SMN2
SCHEMBL14180516 0.61 L3MBTL1 (0.46) L3MBTL1KDM4EGAASMN1; SMN2HPGD
SCHEMBL13417452 0.61 GBA1 (0.55) L3MBTL1KDM4EPOLBGAASMN1; SMN2
SCHEMBL27747166 0.61 KMT2A (0.51) PTGIRL3MBTL1KDM4EPOLBGAA
SCHEMBL2169291 0.60 TRPM8 (0.37) KDM4ELMNATRPM8ROCK2

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 PTGIR 3056/4885L3MBTL1 2084/4885KDM4E 2314/4885
US-20110183978-A1 Phenylpyri(mi)dinylazoles PIR, PIN4, PNN PTGIR 3056/4885L3MBTL1 2084/4885KDM4E 2314/4885

“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.