SCHEMBL2170189

SCHEMBL2170189

O=C(O)N(c1cn[nH]c1)c1ncccc1-c1ccc(F)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.36
TGFBR1 P36897 1/20 0.36
MAPK14 Q16539 1/20 0.36
DHODH Q02127 3/20 0.35
NAMPT P43490 1/20 0.35
LRRK2 Q5S007 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
BRS3 P32247 1/20 0.33
TOP1 P11387 1/20 0.33
CAMKK2 Q96RR4 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
ROCK2 O75116 3/20 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
SCHEMBL2169266 0.71 HTT (0.41) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL30062305 0.68 TOP1 (0.38) TGFBR1TOP1
SCHEMBL2171361 0.66 ALDH1A1 (0.40) ROCK1ALDH1A1ROCK2
SCHEMBL2171350 0.66 RAB9A (0.41) NAMPTALDH1A1LMNAMAPTKMT2A
SCHEMBL2170330 0.65 ALDH1A1 (0.37) ROCK1ALDH1A1KMT2AMEN1ROCK2
SCHEMBL2169501 0.65 POLB (0.36) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL5258713 0.65 KDM4E (0.50) MAPK14DHODHALDH1A1MAPTKMT2A
SCHEMBL26616179 0.64 TNKS (0.31) ROCK2
SCHEMBL3881160 0.64 CYP11B2 (0.50) TGFBR1MAPK14DHODHMAPTKMT2A
SCHEMBL28972835 0.63 MKNK1 (0.46) DHODHALDH1A1MAPTSLC6A4SLC6A3

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 ROCK1 4403/4885TGFBR1 3374/4885MAPK14 1078/4885
US-20110183978-A1 Phenylpyri(mi)dinylazoles PIR, PIN4, PNN ROCK1 4403/4885TGFBR1 3374/4885MAPK14 1078/4885

“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.