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SCHEMBL19901188

SCHEMBL19901188

COC(=O)Nc1cc(-c2cnc(OCC(C)(N)CC(C)C)c(C#N)c2)ccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 20/20 1.00
▸ ROCK2 O75116 3/20 1.00
▸ NR2C2 P49116 3/20 1.00
▸ CYP3A4 P08684 2/20 1.00
▸ MKNK2 Q9HBH9 2/20 1.00
▸ CLK4 Q9HAZ1 2/20 1.00
▸ CLK1 P49759 1/20 1.00
▸ HIPK4 Q8NE63 2/20 0.77
▸ BMP2K Q9NSY1 2/20 0.77
▸ GAK O14976 1/20 0.77
▸ CHRNA1 P02708 1/20 0.77
▸ SLC6A2 P23975 1/20 0.77
▸ CHRNA7 P36544 1/20 0.77
▸ TAB1 Q15750 1/20 0.77
▸ MAP2K1 Q02750 1/20 0.76

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
SCHEMBL30059544 1.00 AAK1 (1.00) AAK1ROCK2NR2C2CYP3A4MKNK2
SCHEMBL29397199 1.00 AAK1 (1.00) AAK1ROCK2NR2C2CYP3A4MKNK2
SCHEMBL17155433 1.00 AAK1 (1.00) AAK1ROCK2NR2C2CYP3A4MKNK2
SCHEMBL17143653 0.92 AAK1 (0.85) AAK1ROCK2NR2C2CYP3A4MKNK2
SCHEMBL31069142 0.89 AAK1 (0.79) AAK1ROCK2NR2C2CYP3A4MKNK2
SCHEMBL29399826 0.88 AAK1 (1.00) AAK1ROCK2NR2C2CYP3A4MKNK2
SCHEMBL20496250 0.88 AAK1 (1.00) AAK1ROCK2NR2C2CYP3A4MKNK2
SCHEMBL17155552 0.88 AAK1 (1.00) AAK1ROCK2NR2C2CYP3A4MKNK2
SCHEMBL19901180 0.87 AAK1 (1.00) AAK1ROCK2NR2C2CYP3A4MKNK2
SCHEMBL17155567 0.87 AAK1 (1.00) AAK1ROCK2NR2C2CYP3A4MKNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3126351-B1 BIARYL KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-09-19 — — EP claimed
US-20250262197-A1 COMPOUNDS AND METHODS FOR TREATING CHEMOTHERAPY-INDUCED PAIN LEXICON PHARMACEUTICALS, INC. (US) 2025-08-21 — — US disclosed
CN-115484951-A AAK1 inhibitors for the treatment of viral infections 莱西肯医药有限公司 2022-12-16 — — CN disclosed
US-20210277001-A1 BIARYL KINASE INHIBITORS Cosmic Pet LLC 2021-09-09 — — US disclosed
US-10981910-B2 Biaryl kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-04-20 — — US disclosed
US-10981910-B2 Biaryl kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-04-20 — — US disclosed
CN-112142655-A Biaryl kinase inhibitors 百时美施贵宝公司 2020-12-29 — — CN disclosed
CN-108368084-B Biaryl kinase inhibitors 百时美施贵宝公司 2020-10-16 — — CN disclosed
US-20200317671-A1 BIARYL KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-10-08 — — US disclosed
US-20200317671-A1 BIARYL KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-10-08 — — US disclosed
US-10723734-B2 Biaryl kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-07-28 — — US disclosed
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
US-10351563-B2 Biaryl kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-07-16 — — US disclosed
US-10351563-B2 Biaryl kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-07-16 — — US disclosed
US-20190048006-A1 BIARYL KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-02-14 — — US disclosed
US-20190048006-A1 BIARYL KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-02-14 — — US disclosed
US-20180346440-A1 BIARYL KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-12-06 — — US disclosed
US-20180134704-A1 BIARYL KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-05-17 — — US disclosed
US-9902722-B2 Biaryl kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-02-27 — — US 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 (10 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-20180134704-A1 BIARYL KINASE INHIBITORS AAK1, NCK1, MARCKS AAK1 1/4885ROCK2 761/4885NR2C2 2360/4885
US-10981910-B2 Biaryl kinase inhibitors AAK1, NCK1, MARCKS AAK1 1/4885ROCK2 761/4885NR2C2 2360/4885
US-20210277001-A1 BIARYL KINASE INHIBITORS AAK1, NCK1, MARCKS AAK1 1/4885ROCK2 761/4885NR2C2 2360/4885
US-20200317671-A1 BIARYL KINASE INHIBITORS AAK1, NCK1, MARCKS AAK1 1/4885ROCK2 761/4885NR2C2 2360/4885
US-20180346440-A1 BIARYL KINASE INHIBITORS AAK1, CAMKK1, CAMKK2 AAK1 1/4885ROCK2 680/4885NR2C2 1766/4885
US-10544120-B2 Biaryl kinase inhibitors AAK1, CAMKK1, CAMKK2 AAK1 1/4885ROCK2 680/4885NR2C2 1766/4885
US-20190048006-A1 BIARYL KINASE INHIBITORS AAK1, NCK1, MARCKS AAK1 1/4885ROCK2 761/4885NR2C2 2360/4885
US-10351563-B2 Biaryl kinase inhibitors AAK1, NCK1, MARCKS AAK1 1/4885ROCK2 761/4885NR2C2 2360/4885
US-20250262197-A1 COMPOUNDS AND METHODS FOR TREATING CHEMOTHERAPY-INDUCED PAIN PNCK, CAMKK1, CAMK2G AAK1 33/4885ROCK2 2008/4885NR2C2 2677/4885
US-10723734-B2 Biaryl kinase inhibitors AAK1, NCK1, MARCKS AAK1 1/4885ROCK2 761/4885NR2C2 2360/4885

“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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