SCHEMBL16974295

SCHEMBL16974295

CC(C)CC(=O)c1ccc2cc(-c3ccncc3)ccc2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 12/20 0.53
▸ BRAF P15056 5/20 0.40
▸ MAP4K4 O95819 1/20 0.40
▸ CDK8 P49336 1/20 0.40
▸ CLK2 P49760 1/20 0.40
▸ CDK7 P50613 1/20 0.40
▸ CDK9 P50750 1/20 0.40
▸ CDK5 Q00535 1/20 0.40
▸ ACVR1 Q04771 1/20 0.40
▸ ROCK1 Q13464 1/20 0.40
▸ DYRK1A Q13627 1/20 0.40
▸ LRRK2 Q5S007 1/20 0.40
▸ CLK4 Q9HAZ1 1/20 0.40
▸ DYRK1B Q9Y463 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ RAB9A P51151 1/20 0.39

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
SCHEMBL16974343 0.81 AAK1 (0.49) AAK1
SCHEMBL16974283 0.78 BACE1 (0.42) KDM4EALDH1A1
SCHEMBL27887117 0.73 HSD17B1 (0.46) MAP4K4LRRK2CLK4ALDH1A1
SCHEMBL20505858 0.73 PIM1 (0.36) KDM4ENPC1ALDH1A1TP53HPGD
SCHEMBL16974140 0.73 AAK1 (0.49) AAK1BRAFMAP4K4CDK8CLK2
SCHEMBL16974306 0.72 AAK1 (0.72) AAK1
SCHEMBL16974141 0.71 AAK1 (0.56) AAK1
SCHEMBL1293407 0.70 HSD17B1 (0.46) MAP4K4LRRK2CLK4
SCHEMBL1293774 0.70 GSK3B (0.50) LRRK2KDM4E
SCHEMBL28275841 0.69 AAK1 (1.00) AAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3099673-B1 QUINOLINE-BASED KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-09-26 — — EP claimed
US-9932320-B2 Quinoline-based kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-04-03 — — US claimed
EP-3099673-A1 QUINOLINE-BASED KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2016-12-07 — — EP claimed
US-20160332985-A1 Quinoline-Based Kinase Inhibitors BRISTOL-MEYERS SQUIBB COMPANY (US) 2016-11-17 — — US claimed
WO-2015116492-A1 QUINOLINE-BASED KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-08-06 — — WO claimed
EP-3099673-B1 QUINOLINE-BASED KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-09-26 — — EP disclosed
US-9932320-B2 Quinoline-based kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-04-03 — — US disclosed
US-9932320-B2 Quinoline-based kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-04-03 — — US disclosed
US-9932320-B2 Quinoline-based kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-04-03 — — US disclosed
EP-3099673-A1 QUINOLINE-BASED KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2016-12-07 — — EP disclosed
US-20160332985-A1 Quinoline-Based Kinase Inhibitors BRISTOL-MEYERS SQUIBB COMPANY (US) 2016-11-17 — — US disclosed
US-20160332985-A1 Quinoline-Based Kinase Inhibitors BRISTOL-MEYERS SQUIBB COMPANY (US) 2016-11-17 — — US disclosed
US-20160332985-A1 Quinoline-Based Kinase Inhibitors BRISTOL-MEYERS SQUIBB COMPANY (US) 2016-11-17 — — US disclosed
WO-2015116492-A1 QUINOLINE-BASED KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-08-06 — — WO disclosed
WO-2015116492-A1 QUINOLINE-BASED KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-08-06 — — 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 (1 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-20160332985-A1 Quinoline-Based Kinase Inhibitors AAK1, EEF2K, ADCK1 AAK1 1/4885BRAF 541/4885MAP4K4 203/4885

“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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