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Sugi Predict / Compounds / SCHEMBL17143553

SCHEMBL17143553

SCHEMBL17143553

CC(C)CC(C)(N)COc1cnc(-c2ccnc(NC(=O)O)c2)cc1C(F)F

nearest known ligand 0.85

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 20/20 0.85
▸ MKNK1 Q9BUB5 4/20 0.73
▸ BMP2K Q9NSY1 3/20 0.73
▸ CIT O14578 3/20 0.73
▸ MYLK2 Q9H1R3 3/20 0.73
▸ PRKCB P05771 1/20 0.73
▸ AURKC Q9UQB9 1/20 0.73
▸ GAK O14976 2/20 0.70
▸ TNIK Q9UKE5 2/20 0.70
▸ SLC6A2 P23975 1/20 0.70
▸ CHRNA7 P36544 1/20 0.70
▸ KCNH2 Q12809 1/20 0.70
▸ MKNK2 Q9HBH9 1/20 0.70
▸ CYP3A4 P08684 2/20 0.69
▸ ROCK2 O75116 1/20 0.69

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
SCHEMBL30059554 0.92 AAK1 (1.00) AAK1MKNK1BMP2KCITMYLK2
SCHEMBL17155450 0.92 AAK1 (1.00) AAK1MKNK1BMP2KCITMYLK2
SCHEMBL20154451 0.92 AAK1 (1.00) AAK1MKNK1BMP2KCITMYLK2
SCHEMBL30578941 0.92 AAK1 (1.00) AAK1MKNK1BMP2KCITMYLK2
SCHEMBL17143704 0.90 AAK1 (0.85) AAK1MKNK1BMP2KCITMYLK2
SCHEMBL17143249 0.89 AAK1 (0.85) AAK1MKNK1BMP2KCITMYLK2
SCHEMBL27220589 0.89 AAK1 (0.68) AAK1MKNK1BMP2KCITMYLK2
SCHEMBL27220585 0.89 AAK1 (0.68) AAK1MKNK1BMP2KCITMYLK2
SCHEMBL17143336 0.89 AAK1 (0.86) AAK1MKNK1BMP2KCITGAK
SCHEMBL17143498 0.89 AAK1 (0.86) AAK1MKNK1BMP2KCITMYLK2

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 24 patents — showing the first 20. 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-9902722-B2 Biaryl kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-02-27 — — US claimed
US-20170183340-A1 BIARYL KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-06-29 — — US claimed
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
WO-2023200892-A1 COMPOUNDS AND METHODS FOR TREATING SPASTICITY LEXICON PHARMACEUTICALS, INC. (US) 2023-10-19 — — WO disclosed
US-20230330074-A1 COMPOUNDS AND METHODS FOR TREATING SPASTICITY LEXICON PHARMACEUTICALS, INC. (US) 2023-10-19 — — US disclosed
US-11730723-B2 Compounds and methods for treating viral infections LEXICON PHARMACEUTICALS, INC. (US) 2023-08-22 — — US 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-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-20180346440-A1 BIARYL KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-12-06 — — US disclosed
EP-3126351-B1 BIARYL KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-09-19 — — EP disclosed
EP-3356340-A1 BIARYL KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2018-08-08 — — EP 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
US-20170183340-A1 BIARYL KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-06-29 — — US disclosed
EP-3126351-A1 BIARYL KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2017-02-08 — — EP disclosed
WO-2015153720-A1 BIARYL KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-10-08 — — WO 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 (9 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-20230330074-A1 COMPOUNDS AND METHODS FOR TREATING SPASTICITY SMN1; SMN2, MUSK, GAB1 AAK1 62/4885MKNK1 545/4885BMP2K 1488/4885
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-20170183340-A1 BIARYL KINASE INHIBITORS AAK1, NCK1, MARCKS AAK1 1/4885MKNK1 37/4885BMP2K 248/4885
US-11730723-B2 Compounds and methods for treating viral infections EIF2AK2, SARS1, MAVS AAK1 147/4885MKNK1 909/4885BMP2K 1012/4885
US-20180346440-A1 BIARYL KINASE INHIBITORS AAK1, CAMKK1, CAMKK2 AAK1 1/4885MKNK1 46/4885BMP2K 174/4885
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.