SCHEMBL346774

SCHEMBL346774

CN(C)Cc1cc(C(=O)O)cc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 4/20 0.48
TACR1 P25103 8/20 0.48
ALDH1A1 P00352 1/20 0.47
LSS P48449 1/20 0.47
SERPINE1 P05121 2/20 0.44
CES2 O00748 1/20 0.43
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42

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
Hydrochloric Acid SCHEMBL345549 0.98 MRGPRX4 (0.47) MRGPRX4TACR1ALDH1A1LSSSERPINE1
SCHEMBL6121602 0.98 MRGPRX4 (0.47) MRGPRX4TACR1ALDH1A1LSSSERPINE1
SCHEMBL9928607 0.87 RXRA (0.49) TACR1ALDH1A1LSSSERPINE1CES2
Lithium Ion SCHEMBL6121595 0.84 LSS (0.45) MRGPRX4TACR1ALDH1A1LSSSERPINE1
SCHEMBL9927096 0.83 TACR1 (0.45) TACR1LSSSERPINE1CES2
SCHEMBL1869219 0.82 ALDH1A1 (0.60) ALDH1A1
SCHEMBL17897037 0.81 MRGPRX4 (0.51) MRGPRX4ALDH1A1CES2RXRARXRB
SCHEMBL3005488 0.81 CACNA1G (0.49) MRGPRX4TACR1SERPINE1
SCHEMBL13451382 0.80 TACR1 (0.49) TACR1ALDH1A1LSSSERPINE1
SCHEMBL27761970 0.80 RXRA (0.53) MRGPRX4CES2RXRARXRBRXRG

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230257352-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC 2023-08-17 US disclosed
US-20230257352-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC 2023-08-17 US disclosed
WO-2023108108-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC (US) 2023-06-15 WO disclosed
CN-108467369-B Biaryl amide compounds as kinase inhibitors 诺华股份有限公司 2021-08-20 CN disclosed
US-10709712-B2 Biaryl amide compounds as kinase inhibitors NOVARTIS AG (CH) 2020-07-14 US disclosed
US-20190175606-A1 BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2019-06-13 US disclosed
US-10245267-B2 Biaryl amide compounds as kinase inhibitors NOVARTIS AG (CH) 2019-04-02 US disclosed
CN-108467369-A BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS 诺华股份有限公司 2018-08-31 CN disclosed
EP-3299367-A1 BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS Novartis AG (CH) 2018-03-28 EP disclosed
CN-105143209-B Biaryl amide compounds as kinase inhibitors 诺华股份有限公司 2018-03-13 CN disclosed
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-19 US disclosed
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-19 US disclosed
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-19 US disclosed
WO-2011146591-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-24 WO disclosed
US-20110288117-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-24 US disclosed
WO-2011146591-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-24 WO disclosed
US-20110288117-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-24 US disclosed
US-20110288117-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-24 US disclosed
US-20100197924-A1 PREPARATION OF AMINOTETRALIN COMPOUNDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-08-05 US disclosed
US-20100197924-A1 PREPARATION OF AMINOTETRALIN COMPOUNDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-08-05 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 (7 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-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 MRGPRX4 3391/4885TACR1 2364/4885ALDH1A1 559/4885
US-20230257352-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF MRGPRX4 3664/4885TACR1 4788/4885ALDH1A1 2049/4885
US-20100197924-A1 PREPARATION OF AMINOTETRALIN COMPOUNDS MAP4K5, MAP4K2, MAP4K1 MRGPRX4 3622/4885TACR1 2509/4885ALDH1A1 3084/4885
US-20110288117-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 MRGPRX4 3261/4885TACR1 2273/4885ALDH1A1 487/4885
US-10709712-B2 Biaryl amide compounds as kinase inhibitors BRAF, RAF1, NRAS MRGPRX4 3038/4885TACR1 4666/4885ALDH1A1 1592/4885
US-20190175606-A1 BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS BRAF, RAF1, NRAS MRGPRX4 3038/4885TACR1 4666/4885ALDH1A1 1592/4885
US-10245267-B2 Biaryl amide compounds as kinase inhibitors BRAF, RAF1, NRAS MRGPRX4 3038/4885TACR1 4666/4885ALDH1A1 1592/4885

“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.