SCHEMBL19946102

SCHEMBL19946102

COc1ccc2c(c1)COc1cnc(Br)cc1-2

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 14/20 0.48
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
ALOX12 P18054 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ROCK2 O75116 3/20 0.44
ROCK1 Q13464 1/20 0.44
MAOB P27338 1/20 0.41
MAPK14 Q16539 1/20 0.40

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
SCHEMBL20176364 0.85 AAK1 (0.60) AAK1KDM4ENPC1ALDH1A1GAA
SCHEMBL19946040 0.81 AAK1 (0.64) AAK1KDM4ENPC1ALDH1A1GAA
SCHEMBL19946114 0.81 AAK1 (0.46) AAK1KDM4ENPC1ALDH1A1GAA
SCHEMBL19946037 0.81 AAK1 (0.46) AAK1KDM4ENPC1ALDH1A1GAA
SCHEMBL19946018 0.81 AAK1 (0.63) AAK1KDM4ENPC1ALDH1A1GAA
SCHEMBL3195849 0.80 MAPT (0.49) AAK1KDM4ENPC1ALDH1A1GAA
SCHEMBL19946044 0.79 AAK1 (0.38) AAK1MAPTSMN1; SMN2ROCK2MAOB
SCHEMBL16377303 0.79 ROCK2 (0.52) AAK1ROCK2ROCK1
SCHEMBL19946162 0.77 AAK1 (0.69) AAK1ROCK2ROCK1
SCHEMBL19946057 0.73 AAK1 (0.44) AAK1KDM4EALDH1A1MAPTHPGD

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 8 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
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-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
US-20180141956-A1 FUSED PYRIDINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-05-24 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 AAK1 1/4885KDM4E 1149/4885NPC1 3319/4885
US-20180141956-A1 FUSED PYRIDINES AS KINASE INHIBITORS AAK1, NCK1, ADCK1 AAK1 1/4885KDM4E 1149/4885NPC1 3319/4885

“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.