SCHEMBL2169501

SCHEMBL2169501

CC(C)(C(=O)N(c1cn[nH]c1)c1ccccn1)c1ccc(F)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
ALDH1A1 P00352 3/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLQ O75417 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KLKB1 P03952 1/20 0.32
NPC1 O15118 1/20 0.32
AGTR1 P30556 1/20 0.32
RAB9A P51151 1/20 0.32
LMNA P02545 1/20 0.32
CYP2D6 P10635 2/20 0.32
CYP3A4 P08684 1/20 0.32
KCNA3 P22001 1/20 0.32
HTR1A P08908 1/20 0.32

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
SCHEMBL2170330 0.80 ALDH1A1 (0.37) ALDH1A1TDP1MEN1KMT2ACYP2D6
SCHEMBL2171361 0.79 ALDH1A1 (0.40) POLBALDH1A1
SCHEMBL2169266 0.76 HTT (0.41) POLBALDH1A1TDP1MEN1KMT2A
SCHEMBL2172302 0.75 HSD11B1 (0.38) ALDH1A1PTGDR2KMT2AMAPTHTT
SCHEMBL2170892 0.75 HTT (0.39) POLBALDH1A1TDP1MEN1KMT2A
SCHEMBL10949660 0.75 POLB (0.50) POLBALDH1A1TDP1MEN1KMT2A
SCHEMBL2170751 0.74 OPRM1 (0.38) POLBSMN1; SMN2HTTNPSR1NPC1
SCHEMBL2169727 0.73 TSHR (0.47) POLBALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2170336 0.68 PTGIR (0.36) POLBMAPTSMN1; SMN2HTTNPSR1
SCHEMBL2171350 0.68 RAB9A (0.41) POLBALDH1A1TDP1MEN1KMT2A

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 POLB 881/4885ALDH1A1 516/4885PTGDR2 4043/4885
US-20110183978-A1 Phenylpyri(mi)dinylazoles PIR, PIN4, PNN POLB 881/4885ALDH1A1 516/4885PTGDR2 4043/4885

“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.