SCHEMBL19946112

SCHEMBL19946112

COc1ccc(Cn2c(=O)c3cc(Cl)ccc3c3ccncc32)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.56
MAT2A P31153 1/20 0.51
GABRA5 P31644 3/20 0.49
ROCK2 O75116 2/20 0.48
PDE1B Q01064 5/20 0.47
PDE1C Q14123 5/20 0.47
PDE1A P54750 4/20 0.47
HASPIN Q8TF76 1/20 0.47
PDE5A O76074 1/20 0.45
GABRA1 P14867 2/20 0.44
CCR2 P41597 1/20 0.44
MAPT P10636 2/20 0.43
NPBWR1 P48145 1/20 0.43
THRB P10828 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
SCHEMBL14195213 0.78 GABRA5 (0.49) AAK1GABRA5PDE1BPDE1CPDE1A
SCHEMBL15455308 0.76 DYRK1A (0.47) MAT2APDE1BPDE1CPDE1AHASPIN
SCHEMBL19946143 0.76 AAK1 (0.61) AAK1ROCK2PDE1BPDE1CPDE1A
SCHEMBL19946144 0.76 AAK1 (0.59) AAK1GABRA5ROCK2PDE1BPDE1C
SCHEMBL15455123 0.75 MAPK8 (0.54) GABRA5ROCK2GABRA1MAPTTHRB
SCHEMBL19946182 0.74 AAK1 (0.84) AAK1ROCK2PDE1BPDE1CPDE1A
SCHEMBL14195212 0.74 GABRA5 (0.47) AAK1GABRA5PDE1BPDE1CPDE1A
SCHEMBL22717400 0.74 PDE1B (0.47) AAK1GABRA5PDE1BPDE1CPDE1A
SCHEMBL19946155 0.74 ROCK2 (0.58) AAK1MAT2AGABRA5ROCK2GABRA1
SCHEMBL4169248 0.74 HASPIN (0.61) GABRA5ROCK2HASPINGABRA1

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 6 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-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 1/4885MAT2A 2897/4885GABRA5 3115/4885
US-20180141956-A1 FUSED PYRIDINES AS KINASE INHIBITORS AAK1, NCK1, ADCK1 AAK1 1/4885MAT2A 2897/4885GABRA5 3115/4885

“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.