SCHEMBL15938830

SCHEMBL15938830

C=CC(=O)Nc1ccccc1CN

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 6/20 0.50
▸ PTPN1 P18031 1/20 0.45
▸ PTPN11 Q06124 1/20 0.45
▸ FGFR4 P22455 1/20 0.42
▸ BTK Q06187 1/20 0.41
▸ EGFR P00533 2/20 0.40
▸ F13A1 P00488 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TGM1 P22735 1/20 0.40
▸ TGM3 Q08188 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ RORC P51449 1/20 0.39
▸ HPGD P15428 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ PKM P14618 1/20 0.38

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
SCHEMBL7178423 0.84 EGFR (0.52) TGM2EGFRLMNAALDH1A1MAPT
SCHEMBL2386224 0.84 ALDH1A1 (0.54) TGM2PTPN1PTPN11FGFR4EGFR
SCHEMBL27746205 0.84 MAPT (0.41) EGFRLMNAALDH1A1MAPTGAA
SCHEMBL12900197 0.83 TGM2 (0.50) TGM2PTPN1PTPN11FGFR4EGFR
SCHEMBL20856368 0.83 TGM2 (0.50) TGM2PTPN1PTPN11FGFR4BTK
SCHEMBL27666297 0.82 ALDH1A1 (0.43) ALDH1A1MAPTGAAHPGD
SCHEMBL20856610 0.81 TGM2 (0.49) TGM2PTPN1PTPN11FGFR4BTK
SCHEMBL613090 0.81 TGM2 (0.65) TGM2PTPN1PTPN11BTKEGFR
SCHEMBL31228347 0.81 TGM2 (0.65) TGM2PTPN1PTPN11BTKEGFR
SCHEMBL23653363 0.80 TGM2 (0.55) TGM2PTPN1PTPN11BTKEGFR

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
EP-2953457-B1 ERK INHIBITORS AND USES THEREOF CELGENE CAR LLC (BM) 2020-04-08 — — EP 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-20170210729-A1 ERK INHIBITORS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2017-07-27 — — US disclosed
US-20170137406-A1 ERK INHIBITORS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2017-05-18 — — US disclosed
US-9561228-B2 ERK inhibitors and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2017-02-07 — — US disclosed
US-9504686-B2 ERK inhibitors and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2016-11-29 — — US disclosed
US-20160082008-A1 ERK INHIBITORS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2016-03-24 — — US disclosed
US-20160002176-A1 ERK INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2016-01-07 — — US disclosed
CN-105188371-A Erk inhibitors and uses thereof CELGENE AVILOMICS RES INC 2015-12-23 — — CN 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
US-20140228322-A1 ERK INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2014-08-14 — — US disclosed
WO-2014124230-A2 ERK INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2014-08-14 — — 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 (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-20170137406-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 TGM2 3278/4885PTPN1 289/4885PTPN11 403/4885
US-20160002176-A1 ERK INHIBITORS AND USES THEREOF MAPK1, MAPK3, MAP4K2 TGM2 2577/4885PTPN1 531/4885PTPN11 597/4885
US-20170210729-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 TGM2 3278/4885PTPN1 289/4885PTPN11 403/4885
US-20160082008-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 TGM2 3278/4885PTPN1 289/4885PTPN11 403/4885
US-20140228322-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 TGM2 3278/4885PTPN1 289/4885PTPN11 403/4885

“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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