SCHEMBL15938644

SCHEMBL15938644

C=CC(=O)Nc1cc(C)ccc1N

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 2/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ HDAC2 Q92769 4/20 0.43
▸ HPGD P15428 1/20 0.42
▸ MAPK3 P27361 7/20 0.41
▸ HDAC3 O15379 3/20 0.40
▸ HDAC1 Q13547 3/20 0.40
▸ GSTO1 P78417 1/20 0.40
▸ MAP2K7 O14733 1/20 0.40
▸ TP53 P04637 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ FGFR1 P11362 2/20 0.39
▸ FGFR4 P22455 2/20 0.39

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 SCHEMBL18249511 0.98 TGM2 (0.53) TGM2SMN1; SMN2GAAMAPTHDAC2
SCHEMBL15939027 0.87 TGM2 (0.54) TGM2SMN1; SMN2GAAMAPTHDAC2
SCHEMBL18256266 0.84 TGM2 (0.59) TGM2SMN1; SMN2GAAMAPTHPGD
SCHEMBL21894170 0.83 TGM2 (0.58) TGM2SMN1; SMN2GAAMAPTHDAC2
SCHEMBL31162390 0.83 TGM2 (0.58) TGM2SMN1; SMN2GAAMAPTHDAC2
SCHEMBL23652898 0.82 TGM2 (0.53) TGM2SMN1; SMN2GAAMAPTHPGD
SCHEMBL3870279 0.81 GAA (0.67) TGM2SMN1; SMN2GAAMAPTTP53
SCHEMBL15551319 0.80 HDAC2 (0.51) SMN1; SMN2GAAMAPTHDAC2HPGD
SCHEMBL15938273 0.80 MEN1 (0.43) TGM2SMN1; SMN2MAPTHDAC2HPGD
SCHEMBL17524715 0.80 TGM2 (0.54) TGM2SMN1; SMN2GAAMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2953457-B1 ERK INHIBITORS AND USES THEREOF CELGENE CAR LLC (BM) 2020-04-08 — — EP disclosed
EP-2953457-B1 ERK INHIBITORS AND USES THEREOF CELGENE CAR LLC (BM) 2020-04-08 — — EP disclosed
EP-3179858-B1 FORMS AND COMPOSITIONS OF AN ERK INHIBITOR CELGENE CAR LLC (BM) 2019-05-15 — — EP disclosed
US-10202364-B2 Forms and compositions of an ERK inhibitor CELGENE CAR LLC (BM) 2019-02-12 — — US disclosed
US-20180362498-A1 FORMS AND COMPOSITIONS OF AN ERK INHIBITOR BRISTOL-MYERS SQUIBB COMPANY 2018-12-20 — — US disclosed
US-10005760-B2 Forms and compositions of an ERK inhibitor CELGENE CAR LLC (BM) 2018-06-26 — — US disclosed
US-9980964-B2 ERK inhibitors and uses thereof CELGENE CAR LLC (BM) 2018-05-29 — — US disclosed
US-9796700-B2 ERK inhibitors and uses thereof CELGENE CAR LLC (BM) 2017-10-24 — — US disclosed
US-20170226083-A1 FORMS AND COMPOSITIONS OF AN ERK INHIBITOR BRISTOL-MYERS SQUIBB COMPANY 2017-08-10 — — US disclosed
US-20170210729-A1 ERK INHIBITORS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2017-07-27 — — US disclosed
WO-2016025639-A1 COMBINATIONS OF AN ERK INHIBITOR AND A CHEMOTHERAPEUTIC AGENT AND RELATED METHODS CELGENE AVILOMICS RESEARCH, INC. (US) 2016-02-18 — — WO disclosed
WO-2016025649-A1 COMBINATIONS OF AN ERK INHIBITOR AND A DOT1L INHIBITOR AND RELATED METHODS CELGENE AVILOMICS RESEARCH, INC. (US) 2016-02-18 — — WO disclosed
WO-2016025648-A1 COMBINATIONS OF AN ERK INHIBITOR AND A RAF INHIBITOR AND RELATED METHODS CELGENE AVILOMICS RESEARCH, INC. (US) 2016-02-18 — — WO disclosed
WO-2016025621-A1 METHODS OF TREATMENT USING AN ERK INHIBITOR CELGENE AVILOMICS RESEARCH, INC. (US) 2016-02-18 — — WO disclosed
WO-2016025651-A1 COMBINATIONS OF AN ERK INHIBITOR AND A TOR INHIBITOR AND RELATED METHODS CELGENE AVILOMICS RESEARCH, INC. (US) 2016-02-18 — — WO disclosed
US-20160002176-A1 ERK INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2016-01-07 — — US disclosed
EP-2953457-A2 ERK INHIBITORS AND USES THEREOF Celgene Avilomics Research, Inc. (US) 2015-12-16 — — EP disclosed
US-9145387-B2 ERK inhibitors and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2015-09-29 — — US disclosed
WO-2014124230-A2 ERK INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2014-08-14 — — WO disclosed
US-20140228322-A1 ERK INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2014-08-14 — — 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-10202364-B2 Forms and compositions of an ERK inhibitor MAPK1, MAP3K20, MAPK3 TGM2 3923/4885SMN1; SMN2 4109/4885GAA 3332/4885
US-20180362498-A1 FORMS AND COMPOSITIONS OF AN ERK INHIBITOR MAPK1, MAP3K20, MAPK3 TGM2 3923/4885SMN1; SMN2 4109/4885GAA 3332/4885
US-20160002176-A1 ERK INHIBITORS AND USES THEREOF MAPK1, MAPK3, MAP4K2 TGM2 2577/4885SMN1; SMN2 3812/4885GAA 2716/4885
US-20170226083-A1 FORMS AND COMPOSITIONS OF AN ERK INHIBITOR MAPK1, MAP3K20, MAPK3 TGM2 3923/4885SMN1; SMN2 4109/4885GAA 3332/4885
US-10005760-B2 Forms and compositions of an ERK inhibitor MAPK1, MAP3K20, MAPK3 TGM2 3923/4885SMN1; SMN2 4109/4885GAA 3332/4885
US-20170210729-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 TGM2 3278/4885SMN1; SMN2 4304/4885GAA 3334/4885
US-20140228322-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 TGM2 3278/4885SMN1; SMN2 4304/4885GAA 3334/4885

“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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