SCHEMBL19946167

SCHEMBL19946167

Cc1cc2c(cc1Cl)c(=O)n(C)c1cnccc21

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 5/20 0.54
ROCK2 O75116 4/20 0.46
ADORA3 P0DMS8 2/20 0.43
ADORA2A P29274 2/20 0.43
CYP19A1 P11511 1/20 0.42
GABRA1 P14867 1/20 0.36
GABRA5 P31644 1/20 0.36
GRM4 Q14833 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
TGFBR1 P36897 1/20 0.35
ADORA1 P30542 1/20 0.35
METAP2 P50579 1/20 0.34
KDM5A P29375 1/20 0.34
FGFR1 P11362 1/20 0.34
SRC P12931 1/20 0.34
HAVCR2 Q8TDQ0 1/20 0.34

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
SCHEMBL19946155 0.80 ROCK2 (0.58) AAK1ROCK2GABRA1GABRA5
SCHEMBL26767558 0.76 TTR (0.47) CYP1A2SRC
SCHEMBL21807233 0.73 ADORA3 (0.42) AAK1ROCK2ADORA3ADORA2ACYP19A1
SCHEMBL21018867 0.73 AAK1 (0.70) AAK1ROCK2ADORA3ADORA2A
SCHEMBL26767491 0.72 SRC (0.40) SRC
SCHEMBL15454733 0.71 ROCK2 (0.50) AAK1ROCK2
SCHEMBL16347500 0.71 ROCK2 (0.58) AAK1ROCK2
SCHEMBL1609661 0.71 ADORA3 (0.54) ROCK2ADORA3ADORA2A
SCHEMBL20164846 0.71 AAK1 (1.00) AAK1ROCK2CYP3A4
SCHEMBL20164848 0.71 AAK1 (1.00) AAK1ROCK2CYP3A4

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 1/4885ROCK2 966/4885ADORA3 3155/4885
US-20180141956-A1 FUSED PYRIDINES AS KINASE INHIBITORS AAK1, NCK1, ADCK1 AAK1 1/4885ROCK2 966/4885ADORA3 3155/4885

“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.