SCHEMBL16680315

SCHEMBL16680315

C[C@@H](NC(=O)c1ccc(B(O)O)cc1F)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ ALDH1A1 P00352 5/20 0.52
▸ KDM4E B2RXH2 4/20 0.52
▸ HPGD P15428 3/20 0.52
▸ LMNA P02545 2/20 0.52
▸ HSD17B10 Q99714 2/20 0.52
▸ NPC1 O15118 1/20 0.51
▸ ROCK2 O75116 2/20 0.50
▸ ROCK1 Q13464 2/20 0.50
▸ POLB P06746 2/20 0.50
▸ GAA P10253 1/20 0.48
▸ KCNQ3 O43525 1/20 0.47
▸ KCNQ2 O43526 1/20 0.47
▸ KCNQ4 P56696 1/20 0.47
▸ KCNQ5 Q9NR82 1/20 0.47
▸ CNR1 P21554 1/20 0.47
▸ CNR2 P34972 1/20 0.47
▸ MTOR P42345 1/20 0.46
▸ TACR3 P29371 1/20 0.45
▸ MAPK1 P28482 1/20 0.45

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
SCHEMBL16680316 1.00 L3MBTL1 (0.53) L3MBTL1ALDH1A1KDM4EHPGDLMNA
SCHEMBL16679575 0.87 MAPK1 (0.49) ROCK2ROCK1KCNQ3KCNQ2KCNQ4
SCHEMBL16679576 0.87 MAPK1 (0.49) ROCK2ROCK1KCNQ3KCNQ2KCNQ4
SCHEMBL13717846 0.83 ALOX5 (0.42) ALDH1A1POLBGAA
SCHEMBL16679600 0.83 MAPK1 (0.46) L3MBTL1ALDH1A1HPGDLMNAROCK2
SCHEMBL16690892 0.83 MAPK1 (0.51) TACR3MAPK1
SCHEMBL16690889 0.82 TACR3 (0.49) L3MBTL1ALDH1A1LMNAROCK2ROCK1
SCHEMBL15663059 0.81 PSMB5 (0.38) ALDH1A1LMNAROCK2ROCK1POLB
SCHEMBL16684531 0.80 ALDH1A1 (0.69) L3MBTL1ALDH1A1KDM4EHPGDLMNA
SCHEMBL257885 0.77 ALDH1A1 (0.68) ALDH1A1KDM4EHPGDLMNAHSD17B10

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 11 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-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
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 L3MBTL1 4452/4885ALDH1A1 2959/4885KDM4E 657/4885
US-20150126490-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS ABL1, MAP3K12, MAP3K2 L3MBTL1 4452/4885ALDH1A1 2959/4885KDM4E 657/4885
US-10188649-B2 Aminoheteroaryl benzamides as kinase inhibitors ABL1, MAP3K12, MAP3K2 L3MBTL1 4452/4885ALDH1A1 2959/4885KDM4E 657/4885
US-10660888-B2 Aminoheteroaryl benzamides as kinase inhibitors ABL1, MAP3K12, MAP3K2 L3MBTL1 4452/4885ALDH1A1 2959/4885KDM4E 657/4885
US-20170182038-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS ABL1, MAP3K12, MAP3K2 L3MBTL1 4452/4885ALDH1A1 2959/4885KDM4E 657/4885
US-20180028532-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS ABL1, MAP3K12, MAP3K2 L3MBTL1 4452/4885ALDH1A1 2959/4885KDM4E 657/4885

“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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