SCHEMBL19901243

SCHEMBL19901243

COC(=O)Nc1cc(-c2cc(C(F)F)c(OCC(N)(CF)CC(C)C)cn2)ccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 20/20 1.00
CYP3A4 P08684 2/20 0.63
GAK O14976 2/20 0.63
ROCK2 O75116 2/20 0.63
CIT O14578 1/20 0.63
MKNK1 Q9BUB5 1/20 0.63
MYLK2 Q9H1R3 1/20 0.63
TNIK Q9UKE5 1/20 0.63
DAPK3 O43293 1/20 0.58
JAK2 O60674 1/20 0.58
DAPK1 P53355 1/20 0.58
TYRO3 Q06418 1/20 0.58
DMPK Q09013 1/20 0.58
HIPK4 Q8NE63 1/20 0.58
MKNK2 Q9HBH9 1/20 0.58
BMP2K Q9NSY1 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
SCHEMBL30578944 1.00 AAK1 (1.00) AAK1CYP3A4GAKROCK2CIT
SCHEMBL17155448 1.00 AAK1 (1.00) AAK1CYP3A4GAKROCK2CIT
SCHEMBL30059558 1.00 AAK1 (1.00) AAK1CYP3A4GAKROCK2CIT
SCHEMBL29400172 1.00 AAK1 (1.00) AAK1CYP3A4GAKROCK2CIT
SCHEMBL17155656 1.00 AAK1 (1.00) AAK1CYP3A4GAKROCK2CIT
SCHEMBL30059525 1.00 AAK1 (1.00) AAK1CYP3A4GAKROCK2CIT
SCHEMBL17143249 0.92 AAK1 (0.85) AAK1CYP3A4GAKROCK2CIT
SCHEMBL30578941 0.90 AAK1 (1.00) AAK1CYP3A4GAKROCK2CIT
SCHEMBL30059554 0.90 AAK1 (1.00) AAK1CYP3A4GAKROCK2CIT
SCHEMBL20154451 0.90 AAK1 (1.00) AAK1CYP3A4GAKROCK2CIT

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 12 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-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
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-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-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-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 (8 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 1/4885CYP3A4 4488/4885GAK 77/4885
US-10981910-B2 Biaryl kinase inhibitors AAK1, NCK1, MARCKS AAK1 1/4885CYP3A4 4488/4885GAK 77/4885
US-20210277001-A1 BIARYL KINASE INHIBITORS AAK1, NCK1, MARCKS AAK1 1/4885CYP3A4 4488/4885GAK 77/4885
US-20200317671-A1 BIARYL KINASE INHIBITORS AAK1, NCK1, MARCKS AAK1 1/4885CYP3A4 4488/4885GAK 77/4885
US-10544120-B2 Biaryl kinase inhibitors AAK1, CAMKK1, CAMKK2 AAK1 1/4885CYP3A4 4285/4885GAK 73/4885
US-20190048006-A1 BIARYL KINASE INHIBITORS AAK1, NCK1, MARCKS AAK1 1/4885CYP3A4 4488/4885GAK 77/4885
US-10351563-B2 Biaryl kinase inhibitors AAK1, NCK1, MARCKS AAK1 1/4885CYP3A4 4488/4885GAK 77/4885
US-10723734-B2 Biaryl kinase inhibitors AAK1, NCK1, MARCKS AAK1 1/4885CYP3A4 4488/4885GAK 77/4885

“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.