SCHEMBL461453

SCHEMBL461453

FC(F)(F)c1nnc(N2CCNCC2)s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.55
HTT P42858 2/20 0.52
ALDH1A1 P00352 3/20 0.51
MEN1 O00255 6/20 0.43
KMT2A Q03164 4/20 0.43
PHGDH O43175 1/20 0.41
LCAT P04180 2/20 0.40
ADRB1 P08588 3/20 0.40
SCN4A P35499 1/20 0.39
SCN9A Q15858 1/20 0.39
EPHX2 P34913 1/20 0.37
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
HTR1D P28221 1/20 0.36
HTR2C P28335 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36

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
Trifluoroacetic Acid SCHEMBL2823609 0.89 HTT (0.47) ATMHTTALDH1A1MEN1KMT2A
Tert-Butyl Formate SCHEMBL28772015 0.84 ATM (0.45) ATMHTTALDH1A1MEN1KMT2A
SCHEMBL2200037 0.80 ATM (0.56) ATMHTTALDH1A1MEN1KMT2A
SCHEMBL15025447 0.79 ATM (0.59) ATMHTTALDH1A1MEN1KMT2A
SCHEMBL13447349 0.79 ATM (0.59) ATMHTTALDH1A1MEN1KMT2A
SCHEMBL26139174 0.73 ROCK2 (0.39) ALDH1A1ROCK2ROCK1
SCHEMBL11518498 0.73 S1PR1 (0.41) ALDH1A1MEN1ADRB1ROCK2ROCK1
SCHEMBL18711350 0.72 ATM (0.52) ATMHTTALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL26599735 0.72 S1PR1 (0.40) ALDH1A1MEN1ADRB1ROCK2ROCK1
SCHEMBL25145700 0.71 ALDH1A1 (0.37) ATMHTTALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4289838-A2 ARYLMETHOXY ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME Celgene Corporation (US) 2023-12-13 EP disclosed
EP-3599236-B1 ARYLMETHOXY ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORP (US) 2023-08-23 EP disclosed
US-20220411402-A1 ARYLMETHOXY ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORPORATION 2022-12-29 US disclosed
US-11414399-B2 Arylmethoxy isoindoline derivatives and compositions comprising and methods of using the same CELGENE CORPORATION (US) 2022-08-16 US disclosed
US-20200231567-A1 ARYLMETHOXY ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORPORATION 2020-07-23 US disclosed
US-10669257-B2 Arylmethoxy isoindoline derivatives and compositions comprising and methods of using the same CELGENE CORPORATION (US) 2020-06-02 US disclosed
EP-3599236-A1 ARYLMETHOXY ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME Celgene Corporation (US) 2020-01-29 EP disclosed
EP-3202460-B1 ARYLMETHOXY ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORP (US) 2019-06-12 EP disclosed
US-20190135780-A1 ARYLMETHOXY ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORPORATION 2019-05-09 US disclosed
EP-3106460-B1 ARYLMETHOXY ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORP (US) 2019-04-10 EP disclosed
CN-101568527-A 2-aminothiazole-4-carboxylic amides as protein kinase inhibitors SCHERING CORP (US) 2009-10-28 CN disclosed
EP-2078004-A1 2-AMINOTHIAZOLE-4-CARBOXYLIC AMIDES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2009-07-15 EP disclosed
WO-2009017701-A2 ANTI-MITOTIC AGENT AND AURORA KINASE INHIBITOR COMBINATION AS ANTI-CANCER TREATMENT SCHERING CORPORATION (US) 2009-02-05 WO disclosed
EP-1511852-A4 USE OF FLUORINE NMR FOR HIGH THROUGHPUT SCREENING PHARMACIA & UPJOHN CO LLC (US) 2008-07-16 EP disclosed
WO-2008054749-A1 2-AMINOTHIAZOLE-4-CARBOXYLIC AMIDES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2008-05-08 WO disclosed
WO-2008054702-A1 ANILINOPIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2008-05-08 WO disclosed
CN-1668757-A Use of fluorine nmr for high throughput screening UPJOHN CO (US) 2005-09-14 CN disclosed
EP-1511852-A2 USE OF FLUORINE NMR FOR HIGH THROUGHPUT SCREENING PHARMACIA & UPJOHN COMPANY (US) 2005-03-09 EP disclosed
WO-2004051214-A2 USE OF FLUORINE NMR FOR HIGH THROUGHPUT SCREENING PHARMACIA & UPJOHN COMPANY (US) 2004-06-17 WO disclosed
US-20040091937-A1 Use of fluorine NMR for high throughput screening NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2004-05-13 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 (5 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-10669257-B2 Arylmethoxy isoindoline derivatives and compositions comprising and methods of using the same CYP3A7, CYP3A4, CYP3A43 ATM 1072/4885HTT 347/4885ALDH1A1 1096/4885
US-20220411402-A1 ARYLMETHOXY ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CYP3A7, CYP3A4, CYP3A43 ATM 1072/4885HTT 347/4885ALDH1A1 1096/4885
US-20200231567-A1 ARYLMETHOXY ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CYP3A7, CYP3A4, CYP3A43 ATM 1072/4885HTT 347/4885ALDH1A1 1096/4885
US-11414399-B2 Arylmethoxy isoindoline derivatives and compositions comprising and methods of using the same CYP3A7, CYP3A4, CYP3A43 ATM 1072/4885HTT 347/4885ALDH1A1 1096/4885
US-20190135780-A1 ARYLMETHOXY ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CYP3A7, CYP3A4, CYP3A43 ATM 1072/4885HTT 347/4885ALDH1A1 1096/4885

“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.