SCHEMBL2170330

SCHEMBL2170330

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

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
TDP1 Q9NUW8 1/20 0.35
ROCK2 O75116 8/20 0.35
ROCK1 Q13464 6/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA1A P35348 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 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
SCHEMBL2171361 0.88 ALDH1A1 (0.40) ALDH1A1ROCK2ROCK1
SCHEMBL2169501 0.80 POLB (0.36) ALDH1A1TDP1MEN1KMT2ACYP3A4
SCHEMBL2169266 0.76 HTT (0.41) ALDH1A1TDP1MEN1KMT2ACYP3A4
SCHEMBL2172302 0.75 HSD11B1 (0.38) ALDH1A1KMT2A
SCHEMBL2170892 0.75 HTT (0.39) ALDH1A1TDP1ROCK2MEN1KMT2A
SCHEMBL2170751 0.74 OPRM1 (0.38)
SCHEMBL2169727 0.73 TSHR (0.47) ALDH1A1MEN1KMT2A
SCHEMBL2170336 0.70 PTGIR (0.36) ROCK2ROCK1CYP3A4
SCHEMBL2171350 0.68 RAB9A (0.41) ALDH1A1TDP1MEN1KMT2A
SCHEMBL7982503 0.68 S100A4 (0.48) ALDH1A1TDP1MEN1KMT2ABLM

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 ALDH1A1 516/4885TDP1 2661/4885ROCK2 4284/4885
US-20110183978-A1 Phenylpyri(mi)dinylazoles PIR, PIN4, PNN ALDH1A1 516/4885TDP1 2661/4885ROCK2 4284/4885

“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.