SCHEMBL19946145

SCHEMBL19946145

O=C(O)Nc1cc2c(cn1)OCc1cc(Cl)ccc1-2

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 11/20 0.51
AAK1 Q2M2I8 8/20 0.48
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL19946106 0.89 AAK1 (0.60) ROCK2AAK1KDM4ENPC1ALDH1A1
SCHEMBL20176331 0.87 AAK1 (0.62) ROCK2AAK1KDM4ENPC1ALDH1A1
SCHEMBL15240438 0.85 ROCK2 (0.51) ROCK2AAK1KDM4ENPC1ALDH1A1
SCHEMBL19946056 0.78 AAK1 (0.61) ROCK2AAK1
SCHEMBL20176327 0.78 AAK1 (0.51) ROCK2AAK1
SCHEMBL19946085 0.77 AAK1 (0.58) ROCK2AAK1
SCHEMBL16346017 0.76 ROCK2 (0.70) ROCK2AAK1
SCHEMBL18887488 0.75 ROCK2 (0.88) ROCK2
SCHEMBL19946090 0.75 AAK1 (0.54) ROCK2AAK1KDM4ENPC1ALDH1A1
SCHEMBL19946044 0.75 AAK1 (0.38) ROCK2AAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3292124-B1 6H-ISOCHROMENO[3,4-C]PYRIDINES AND BENZO[C][1,7]NAPHTHYRIDIN-6-(5H)-ONES AS ADAPTOR ASSOCIATED KINASE 1 (AAK1) INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-05-22 EP disclosed
US-10174044-B2 Fused pyridines as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-01-08 US disclosed
US-20180141956-A1 FUSED PYRIDINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-05-24 US disclosed
EP-3292124-A2 FUSED PYRIDINES AS ADAPTOR ASSOCIATED KINASE 1 (AAK1) INHIBITORS Bristol-Myers Squibb Company (US) 2018-03-14 EP 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-10174044-B2 Fused pyridines as kinase inhibitors AAK1, NCK1, ADCK1 ROCK2 966/4885AAK1 1/4885KDM4E 1149/4885
US-20180141956-A1 FUSED PYRIDINES AS KINASE INHIBITORS AAK1, NCK1, ADCK1 ROCK2 966/4885AAK1 1/4885KDM4E 1149/4885

“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.