SCHEMBL20176327

SCHEMBL20176327

Cc1cc2c(cn1)OCc1cc(Cl)ccc1-2

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 9/20 0.51
HTR2B P41595 1/20 0.40
ROCK2 O75116 5/20 0.38
MAPT P10636 4/20 0.37
RXFP1 Q9HBX9 1/20 0.36
PGR P06401 1/20 0.35
AR P10275 1/20 0.35
THRB P10828 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL20176363 0.85 AAK1 (0.51) AAK1ROCK2MAPT
SCHEMBL15240866 0.82 ROCK2 (0.40) AAK1ROCK2MAPTRXFP1THRB
SCHEMBL19946044 0.82 AAK1 (0.38) AAK1HTR2BROCK2MAPTRXFP1
SCHEMBL19946090 0.82 AAK1 (0.54) AAK1HTR2BROCK2MAPTRXFP1
SCHEMBL20176364 0.80 AAK1 (0.60) AAK1ROCK2MAPTSMN1; SMN2
SCHEMBL19946145 0.78 ROCK2 (0.51) AAK1ROCK2
SCHEMBL19946106 0.77 AAK1 (0.60) AAK1ROCK2
SCHEMBL19946104 0.76 ROCK2 (0.56) AAK1ROCK2
SCHEMBL15430125 0.75 HTR2B (0.43) HTR2BROCK2MAPTPGRAR
SCHEMBL20176331 0.75 AAK1 (0.62) AAK1ROCK2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180141956-A1 FUSED PYRIDINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-05-24 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 (1 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-20180141956-A1 FUSED PYRIDINES AS KINASE INHIBITORS AAK1, NCK1, ADCK1 AAK1 1/4885HTR2B 4678/4885ROCK2 966/4885

“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.