SCHEMBL16678680

SCHEMBL16678680

CC(C)(C)OC(=O)n1cccc1C#N

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
BCHE P06276 1/20 0.42
CTSK P43235 1/20 0.40
BUB1 O43683 1/20 0.39
PIK3R1 P27986 1/20 0.37
PIK3CA P42336 1/20 0.37
GPR119 Q8TDV5 5/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NR1H2 P55055 2/20 0.36
NR1H3 Q13133 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
AR P10275 1/20 0.34
TNK2 Q07912 1/20 0.34
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL24440780 0.84 HSP90AA1 (0.43) HSP90AA1HSP90AB1BCHECTSKBUB1
SCHEMBL15417736 0.80 HSP90AA1 (0.47) HSP90AA1HSP90AB1BCHEBUB1PIK3R1
SCHEMBL24440777 0.79 HSP90AA1 (0.43) HSP90AA1HSP90AB1BCHEBUB1PIK3R1
SCHEMBL29296516 0.78 PGR (0.38) L3MBTL1MEN1KMT2AAR
SCHEMBL24441423 0.78 HSP90AA1 (0.39) HSP90AA1HSP90AB1BCHECTSKBUB1
SCHEMBL26819794 0.77 HSP90AA1 (0.46) HSP90AA1HSP90AB1PIK3R1PIK3CAGPR119
SCHEMBL4916320 0.76 HSP90AA1 (0.47) HSP90AA1HSP90AB1BCHEBUB1PIK3R1
SCHEMBL163016 0.76 HSP90AA1 (0.47) HSP90AA1HSP90AB1BCHEBUB1PIK3R1
SCHEMBL24914436 0.75 HSP90AA1 (0.52) HSP90AA1HSP90AB1BCHEBUB1PIK3R1
SCHEMBL19204908 0.75 HSP90AA1 (0.46) HSP90AA1HSP90AB1BCHEBUB1PIK3R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180134695-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF ABL1, ABL2 AND BCR-ABL1 NOVARTIS AG (CH) 2018-05-17 US disclosed
US-9896444-B2 Benzamide derivatives for inhibiting the activity of ABL1, ABL2 and BCR-ABL1 NOVARTIS AG (CH) 2018-02-20 US disclosed
EP-2861576-B1 BENZAMIDE DERIVATIVES FOR INHIBITING THE ACTIVITY OF ABL1, ABL2 AND BCR-ABL1 NOVARTIS AG (CH) 2018-01-10 EP disclosed
CN-106147397-A A kind of paint ink dispersion formula 泉州市山水电脑耗材有限公司 2016-11-23 CN disclosed
US-20160200705-A1 BENZAMIDE DERIVATIVES FOR INHIBITING THE ACTIVITY OF ABL1, ABL2 AND BCR-ABL1 NOVARTIS AG (CH) 2016-07-14 US disclosed
US-9340537-B2 Benzamide derivatives for inhibiting the activity of ABL1, ABL2 and BCR-ABL1 NOVATIS AG (CH) 2016-05-17 US disclosed
US-20150126485-A1 BENZAMIDE DERIVATIVES FOR INHIBITING THE ACTIVITY OF ABL1, ABL2 AND BCR-ABL1 NOVARTIS AG (CH) 2015-05-07 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 (3 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-20160200705-A1 BENZAMIDE DERIVATIVES FOR INHIBITING THE ACTIVITY OF ABL1, ABL2 AND BCR-ABL1 ABL1, ABL2, BCR HSP90AA1 1520/4885HSP90AB1 1094/4885BCHE 1131/4885
US-20150126485-A1 BENZAMIDE DERIVATIVES FOR INHIBITING THE ACTIVITY OF ABL1, ABL2 AND BCR-ABL1 ABL1, ABL2, BCR HSP90AA1 1538/4885HSP90AB1 1053/4885BCHE 1214/4885
US-20180134695-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF ABL1, ABL2 AND BCR-ABL1 ABL1, ABL2, BCR HSP90AA1 1648/4885HSP90AB1 1301/4885BCHE 3004/4885

“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.