SCHEMBL16679341

SCHEMBL16679341

[2H]C([2H])(O)c1cc(F)cc(Br)c1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.33
IDO1 P14902 3/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
GPR183 P32249 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30

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
SCHEMBL16679388 0.86 AKR1B1 (0.31) AKR1B1GPR183
SCHEMBL15901048 0.84 IDO1 (0.42) IDO1CYP4F2CYP4A11CHRNB4CHRNA3
SCHEMBL671597 0.82 CYP4F2 (0.44) AKR1B1IDO1CYP4F2CYP4A11CHRNB4
SCHEMBL3414415 0.78 TDP1 (0.34) AKR1B1IDO1CYP4F2CYP4A11CHRNB4
SCHEMBL16956794 0.75 TNKS2 (0.37) AKR1B1CYP4A11
SCHEMBL29472374 0.75 IDO1 (0.34) AKR1B1IDO1CHRNB4CHRNA3
SCHEMBL16679916 0.75 IDO1 (0.34) AKR1B1IDO1CHRNB4CHRNA3
SCHEMBL671058 0.75 IDO1 (0.34) AKR1B1IDO1CHRNB4CHRNA3
SCHEMBL31716590 0.75 IDO1 (0.34) AKR1B1IDO1CHRNB4CHRNA3
SCHEMBL12200375 0.73 LMNA (0.34) AKR1B1IDO1CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10660888-B2 Aminoheteroaryl benzamides as kinase inhibitors NOVARTIS AG (CH) 2020-05-26 US disclosed
US-20190247392-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2019-08-15 US disclosed
US-10188649-B2 Aminoheteroaryl benzamides as kinase inhibitors NOVARTIS AG (CH) 2019-01-29 US disclosed
EP-3063143-B1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS NOVARTIS AG (CH) 2018-05-16 EP disclosed
US-20180028532-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS NOVARTIS AG (CH) 2018-02-01 US disclosed
US-9763937-B2 Aminoheteroaryl benzamides as kinase inhibitors NOVARTIS AG (CH) 2017-09-19 US disclosed
US-9763937-B2 Aminoheteroaryl benzamides as kinase inhibitors NOVARTIS AG (CH) 2017-09-19 US disclosed
US-20170182038-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS NOVARTIS AG (CH) 2017-06-29 US disclosed
US-20170182038-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS NOVARTIS AG (CH) 2017-06-29 US disclosed
EP-3063143-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS Novartis AG (CH) 2016-09-07 EP disclosed
US-9242996-B2 Aminoheteroaryl benzamides as kinase inhibitors NOVARTIS AG (CH) 2016-01-26 US disclosed
US-20150126490-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS NOVARTIS AG (CH) 2015-05-07 US disclosed
US-20150126490-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS NOVARTIS AG (CH) 2015-05-07 US disclosed
WO-2015066188-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS NOVARTIS AG (CH) 2015-05-07 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 (6 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-20190247392-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS ABL1, MAP3K12, MAP3K2 AKR1B1 1735/4885IDO1 1640/4885CYP4F2 2620/4885
US-20150126490-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS ABL1, MAP3K12, MAP3K2 AKR1B1 1735/4885IDO1 1640/4885CYP4F2 2620/4885
US-10188649-B2 Aminoheteroaryl benzamides as kinase inhibitors ABL1, MAP3K12, MAP3K2 AKR1B1 1735/4885IDO1 1640/4885CYP4F2 2620/4885
US-10660888-B2 Aminoheteroaryl benzamides as kinase inhibitors ABL1, MAP3K12, MAP3K2 AKR1B1 1735/4885IDO1 1640/4885CYP4F2 2620/4885
US-20170182038-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS ABL1, MAP3K12, MAP3K2 AKR1B1 1735/4885IDO1 1640/4885CYP4F2 2620/4885
US-20180028532-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS ABL1, MAP3K12, MAP3K2 AKR1B1 1735/4885IDO1 1640/4885CYP4F2 2620/4885

“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.