SCHEMBL17143384

SCHEMBL17143384

CC(C)CC(C)(N)COc1cnc(-c2ccnc(C(F)F)c2)cc1C(F)F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 20/20 1.00
MKNK1 Q9BUB5 5/20 1.00
BMP2K Q9NSY1 5/20 1.00
CIT O14578 4/20 1.00
GAK O14976 3/20 1.00
MYLK2 Q9H1R3 2/20 1.00
SLC6A2 P23975 2/20 1.00
KCNH2 Q12809 2/20 1.00
MKNK2 Q9HBH9 2/20 1.00
CHRNA7 P36544 1/20 1.00
TNIK Q9UKE5 1/20 1.00
PRKCB P05771 1/20 0.81
AURKC Q9UQB9 1/20 0.81
CYP3A4 P08684 2/20 0.77
PRKG2 Q13237 2/20 0.77
ROCK2 O75116 1/20 0.77
PKN2 Q16513 1/20 0.77
LATS2 Q9NRM7 1/20 0.68
ABCG2 Q9UNQ0 1/20 0.68
GSK3A P49840 1/20 0.66

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
SCHEMBL31338821 1.00 AAK1 (1.00) AAK1MKNK1BMP2KCITGAK
SCHEMBL17155473 1.00 AAK1 (1.00) AAK1MKNK1BMP2KCITGAK
SCHEMBL17144091 1.00 AAK1 (1.00) AAK1MKNK1BMP2KCITGAK
SCHEMBL30059580 1.00 AAK1 (1.00) AAK1MKNK1BMP2KCITGAK
SCHEMBL17155290 0.89 AAK1 (1.00) AAK1MKNK1BMP2KCITGAK
SCHEMBL30612789 0.89 AAK1 (1.00) AAK1MKNK1BMP2KCITGAK
SCHEMBL17155293 0.89 AAK1 (1.00) AAK1MKNK1BMP2KCITGAK
SCHEMBL30061274 0.89 AAK1 (1.00) AAK1MKNK1BMP2KCITGAK
SCHEMBL19901252 0.89 AAK1 (1.00) AAK1MKNK1BMP2KCITGAK
SCHEMBL17143449 0.89 AAK1 (1.00) AAK1MKNK1BMP2KCITGAK

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
EP-3126351-A1 BIARYL KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2017-02-08 EP claimed
WO-2015153720-A1 BIARYL KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-10-08 WO claimed
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

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 1/4885MKNK1 37/4885BMP2K 248/4885
US-10981910-B2 Biaryl kinase inhibitors AAK1, NCK1, MARCKS AAK1 1/4885MKNK1 37/4885BMP2K 248/4885
US-20210277001-A1 BIARYL KINASE INHIBITORS AAK1, NCK1, MARCKS AAK1 1/4885MKNK1 37/4885BMP2K 248/4885
US-20200317671-A1 BIARYL KINASE INHIBITORS AAK1, NCK1, MARCKS AAK1 1/4885MKNK1 37/4885BMP2K 248/4885
US-10544120-B2 Biaryl kinase inhibitors AAK1, CAMKK1, CAMKK2 AAK1 1/4885MKNK1 46/4885BMP2K 174/4885
US-20190048006-A1 BIARYL KINASE INHIBITORS AAK1, NCK1, MARCKS AAK1 1/4885MKNK1 37/4885BMP2K 248/4885
US-10351563-B2 Biaryl kinase inhibitors AAK1, NCK1, MARCKS AAK1 1/4885MKNK1 37/4885BMP2K 248/4885
US-10723734-B2 Biaryl kinase inhibitors AAK1, NCK1, MARCKS AAK1 1/4885MKNK1 37/4885BMP2K 248/4885

“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.