SCHEMBL20447182

SCHEMBL20447182

COc1cc(-c2cnc(OC[C@@](C)(N)CC(C)C)c(C#N)c2)ccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 20/20 1.00
▸ ROCK2 O75116 1/20 0.71
▸ CYP3A4 P08684 1/20 0.71
▸ NR2C2 P49116 1/20 0.71
▸ CLK1 P49759 1/20 0.71
▸ CLK4 Q9HAZ1 1/20 0.71
▸ MKNK2 Q9HBH9 1/20 0.71

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
SCHEMBL20447184 1.00 AAK1 (1.00) AAK1ROCK2CYP3A4NR2C2CLK1
SCHEMBL30059520 0.89 AAK1 (1.00) AAK1ROCK2CYP3A4NR2C2CLK1
SCHEMBL17155471 0.89 AAK1 (1.00) AAK1ROCK2CYP3A4NR2C2CLK1
SCHEMBL19901184 0.89 AAK1 (1.00) AAK1ROCK2CYP3A4NR2C2CLK1
SCHEMBL22244658 0.88 AAK1 (0.78) AAK1ROCK2CYP3A4NR2C2CLK1
SCHEMBL17155390 0.86 AAK1 (1.00) AAK1ROCK2CYP3A4NR2C2CLK1
SCHEMBL19901192 0.86 AAK1 (1.00) AAK1ROCK2CYP3A4NR2C2CLK1
SCHEMBL30061130 0.86 AAK1 (1.00) AAK1ROCK2CYP3A4NR2C2CLK1
SCHEMBL28485569 0.85 AAK1 (0.74) AAK1ROCK2CYP3A4NR2C2CLK1
SCHEMBL19901188 0.83 AAK1 (1.00) AAK1ROCK2CYP3A4NR2C2CLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10544120-B2 Biaryl kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-01-28 — — US claimed
EP-3356340-B1 BIARYL KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-10-23 — — EP claimed
US-20180346440-A1 BIARYL KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-12-06 — — US claimed
US-10544120-B2 Biaryl kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-01-28 — — US disclosed
US-10544120-B2 Biaryl kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-01-28 — — US disclosed
EP-3356340-B1 BIARYL KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-10-23 — — EP disclosed
EP-3356340-B1 BIARYL KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-10-23 — — EP disclosed
US-20180346440-A1 BIARYL KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-12-06 — — US disclosed
EP-3356340-A1 BIARYL KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2018-08-08 — — 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-20180346440-A1 BIARYL KINASE INHIBITORS AAK1, CAMKK1, CAMKK2 AAK1 1/4885ROCK2 680/4885CYP3A4 4285/4885
US-10544120-B2 Biaryl kinase inhibitors AAK1, CAMKK1, CAMKK2 AAK1 1/4885ROCK2 680/4885CYP3A4 4285/4885

“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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