SCHEMBL16075342

SCHEMBL16075342

CC(C)(C)OC(=O)N1CCN(c2nc(-c3ccc(Br)cc3)c(C(N)=O)s2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 2/20 0.46
SKP1 P63208 2/20 0.46
SKP2 Q13309 2/20 0.46
ALDH1A1 P00352 4/20 0.44
HTT P42858 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
PIK3CA P42336 1/20 0.41
PARP1 P09874 1/20 0.41
BACE1 P56817 2/20 0.41
MAP4K4 O95819 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KCNK3 O14649 1/20 0.40
KCNK9 Q9NPC2 1/20 0.40
TBK1 Q9UHD2 1/20 0.40
ESRRB O95718 1/20 0.40
ESR1 P03372 1/20 0.40
ESRRA P11474 1/20 0.40
ESRRG P62508 1/20 0.40

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
SCHEMBL16075345 0.87 GPR119 (0.48) CKS1BSKP1SKP2GPR119
SCHEMBL16075313 0.86 CKS1B (0.46) CKS1BSKP1SKP2ALDH1A1HTT
SCHEMBL19909670 0.86 CKS1B (0.43) CKS1BSKP1SKP2ALDH1A1HTT
SCHEMBL16075328 0.86 BTK (0.50) CKS1BSKP1SKP2ALDH1A1HTT
SCHEMBL16075297 0.81 BTK (0.47) ALDH1A1HTTL3MBTL1NPC1RAB9A
SCHEMBL16075291 0.80 BTK (0.48) ALDH1A1HTTL3MBTL1NPC1RAB9A
SCHEMBL16075343 0.80 BTK (0.50) CKS1BSKP1SKP2ALDH1A1HTT
SCHEMBL16075329 0.78 CKS1B (0.52) CKS1BSKP1SKP2ALDH1A1HTT
SCHEMBL16075325 0.78 CKS1B (0.47) CKS1BSKP1SKP2ALDH1A1HTT
SCHEMBL3100957 0.78 KMT2A (0.64) CKS1BSKP1SKP2ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970163-B1 5-THIAZOLECARBOXAMIDE DERVATIVES AND THEIR USE AS BTK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2018-02-28 EP disclosed
US-8895750-B2 Heteroaromatic compounds as BTK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-25 US disclosed
US-8895750-B2 Heteroaromatic compounds as BTK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-25 US disclosed
WO-2014151620-A1 5-THIAZOLECARBOXAMIDE DERVATIVES AND THEIR USE AS BTK INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-25 WO disclosed
US-20140275012-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-18 US disclosed
US-20140275012-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-18 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 (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-20140275012-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BTK, SYK, LCK CKS1B 271/4885SKP1 1039/4885SKP2 499/4885

“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.