SCHEMBL15973145

SCHEMBL15973145

C#CC(C)(C)Oc1cc(Br)ccc1C=O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 2/20 0.38
▸ PTGDR2 Q9Y5Y4 2/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ MAOB P27338 3/20 0.34
▸ MAOA P21397 1/20 0.34
▸ CYP2A6 P11509 2/20 0.33
▸ PRKDC P78527 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ ERBB2 P04626 1/20 0.33
▸ PYCR1 P32322 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ PTPN1 P18031 1/20 0.31
▸ LMNA P02545 1/20 0.31

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
SCHEMBL15619882 0.88 PTGDR2 (0.46) ERN1PTGDR2ALDH1A1CYP2A6PRKDC
SCHEMBL15973528 0.87 MAOA (0.37) MAOBMAOA
SCHEMBL15973530 0.87 MAOA (0.37) MAOBMAOA
SCHEMBL16844646 0.78 PYCR1 (0.34) ALDH1A1PYCR1L3MBTL1
SCHEMBL4234831 0.78 ALDH1A1 (0.47) ERN1PTGDR2ALDH1A1HPGDLMNA
SCHEMBL15989350 0.76 MAOA (0.32) MAOBMAOAPYCR1
SCHEMBL15972192 0.76 MAOA (0.32) MAOBMAOAPYCR1
SCHEMBL23111680 0.76 PTGDR2 (0.46) ERN1PTGDR2ALDH1A1MAOBMAOA
SCHEMBL207935 0.76 MAOA (0.52) ERN1PTGDR2ALDH1A1MAOBMAOA
SCHEMBL18532071 0.74 RAB9A (0.38) PTGDR2ALDH1A1PYCR1HPGDL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9708337-B2 Aryl amide-based kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-07-18 — — US disclosed
US-9708337-B2 Aryl amide-based kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-07-18 — — US disclosed
US-9708337-B2 Aryl amide-based kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-07-18 — — US disclosed
EP-2958924-B1 5H-CHROMENO[3,4-C]PYRIDINES AS INHIBITORS OF ADAPTOR ASSOCIATED KINASE 1 (AAK1) BRISTOL MYERS SQUIBB CO (US) 2016-12-28 — — EP disclosed
US-20160016967-A1 ARYL AMIDE-BASED KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2016-01-21 — — US disclosed
US-20160016967-A1 ARYL AMIDE-BASED KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2016-01-21 — — US disclosed
US-20160016967-A1 ARYL AMIDE-BASED KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2016-01-21 — — US disclosed
EP-2958924-A1 5H-CHROMENO[3,4-C]PYRIDINES AS INHIBITORS OF ADAPTOR ASSOCIATED KINASE 1 (AAK1) Bristol-Myers Squibb Company (US) 2015-12-30 — — EP disclosed
WO-2014130258-A1 5H-CHROMENO[3,4-C]PYRIDINES AS INHIBITORS OF ADAPTOR ASSOCIATED KINASE 1 (AAK1) BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-28 — — WO disclosed
WO-2014130258-A1 5H-CHROMENO[3,4-C]PYRIDINES AS INHIBITORS OF ADAPTOR ASSOCIATED KINASE 1 (AAK1) BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-28 — — WO 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 (1 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-20160016967-A1 ARYL AMIDE-BASED KINASE INHIBITORS AAK1, ADCK1, NCK1 ERN1 513/4885PTGDR2 3869/4885ALDH1A1 2933/4885

“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.

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