SCHEMBL19946166

SCHEMBL19946166

Cn1c(=O)c2cc(Cl)ccc2c2cc(Br)ncc21

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 7/20 0.41
GABRG2 P18507 7/20 0.41
GABRB3 P28472 7/20 0.41
GABRA5 P31644 7/20 0.41
ROCK2 O75116 1/20 0.39
AAK1 Q2M2I8 2/20 0.39
RXFP1 Q9HBX9 1/20 0.38
MAT2A P31153 1/20 0.38
DPP4 P27487 3/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CYP2C19 P33261 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL19946180 0.84 AAK1 (0.52) GABRA1GABRG2GABRB3GABRA5ROCK2
SCHEMBL19946157 0.77 GABRA1 (0.39) GABRA1GABRG2GABRB3GABRA5AAK1
SCHEMBL19946155 0.77 ROCK2 (0.58) GABRA1GABRG2GABRB3GABRA5ROCK2
SCHEMBL19946117 0.76 AAK1 (0.36) AAK1RXFP1
SCHEMBL27858090 0.71 PGR (0.55) GABRA1GABRG2GABRB3GABRA5RXFP1
SCHEMBL15454733 0.69 ROCK2 (0.50) ROCK2AAK1RXFP1MAT2ACYP2C19
SCHEMBL19946154 0.68 AAK1 (0.52) GABRA1GABRG2GABRB3GABRA5AAK1
SCHEMBL15455077 0.68 MAT2A (0.45) GABRA1GABRG2GABRB3GABRA5AAK1
SCHEMBL15562342 0.68 ROCK2 (0.49) ROCK2AAK1RXFP1MAT2ACYP2C19
SCHEMBL19946159 0.68 AAK1 (0.52) AAK1

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 GABRA1 2722/4885GABRG2 2800/4885GABRB3 2512/4885
US-20180141956-A1 FUSED PYRIDINES AS KINASE INHIBITORS AAK1, NCK1, ADCK1 GABRA1 2722/4885GABRG2 2800/4885GABRB3 2512/4885

“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.