SCHEMBL19901192

SCHEMBL19901192

CC(C)CC(C)(N)COc1ncc(-c2ccnc(C(F)F)c2)cc1C#N

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 20/20 1.00
▸ CYP3A4 P08684 3/20 0.66
▸ MKNK2 Q9HBH9 3/20 0.66
▸ ROCK2 O75116 2/20 0.66
▸ NR2C2 P49116 1/20 0.66
▸ CLK1 P49759 1/20 0.66
▸ CLK4 Q9HAZ1 1/20 0.66
▸ PRKG2 Q13237 2/20 0.60
▸ CIT O14578 2/20 0.60
▸ GAK O14976 2/20 0.60
▸ MKNK1 Q9BUB5 2/20 0.60
▸ BMP2K Q9NSY1 2/20 0.60
▸ PKN2 Q16513 1/20 0.60
▸ GSK3A P49840 1/20 0.59
▸ SLC6A2 P23975 1/20 0.58
▸ CHRNA7 P36544 1/20 0.58
▸ KCNH2 Q12809 1/20 0.58
▸ MYLK2 Q9H1R3 1/20 0.58
▸ TNIK Q9UKE5 1/20 0.58

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
SCHEMBL30061130 1.00 AAK1 (1.00) AAK1CYP3A4MKNK2ROCK2NR2C2
SCHEMBL17155390 1.00 AAK1 (1.00) AAK1CYP3A4MKNK2ROCK2NR2C2
SCHEMBL30059520 0.87 AAK1 (1.00) AAK1CYP3A4MKNK2ROCK2NR2C2
SCHEMBL19901184 0.87 AAK1 (1.00) AAK1CYP3A4MKNK2ROCK2NR2C2
SCHEMBL17155471 0.87 AAK1 (1.00) AAK1CYP3A4MKNK2ROCK2NR2C2
SCHEMBL20447182 0.86 AAK1 (1.00) AAK1CYP3A4MKNK2ROCK2NR2C2
SCHEMBL20447184 0.86 AAK1 (1.00) AAK1CYP3A4MKNK2ROCK2NR2C2
SCHEMBL30061276 0.86 AAK1 (1.00) AAK1CYP3A4MKNK2ROCK2PRKG2
SCHEMBL17143659 0.86 AAK1 (1.00) AAK1CYP3A4MKNK2ROCK2PRKG2
SCHEMBL17143657 0.86 AAK1 (1.00) AAK1CYP3A4MKNK2ROCK2PRKG2

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
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-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-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-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 (4 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-10981910-B2 Biaryl kinase inhibitors AAK1, NCK1, MARCKS AAK1 1/4885CYP3A4 4488/4885MKNK2 45/4885
US-20200317671-A1 BIARYL KINASE INHIBITORS AAK1, NCK1, MARCKS AAK1 1/4885CYP3A4 4488/4885MKNK2 45/4885
US-20190048006-A1 BIARYL KINASE INHIBITORS AAK1, NCK1, MARCKS AAK1 1/4885CYP3A4 4488/4885MKNK2 45/4885
US-10351563-B2 Biaryl kinase inhibitors AAK1, NCK1, MARCKS AAK1 1/4885CYP3A4 4488/4885MKNK2 45/4885

“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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