SCHEMBL15938273

SCHEMBL15938273

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ GSTO1 P78417 2/20 0.43
▸ POLB P06746 2/20 0.41
▸ FADS1 O60427 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HDAC2 Q92769 4/20 0.41
▸ HDAC1 Q13547 3/20 0.41
▸ TGM2 P21980 2/20 0.41
▸ HDAC3 O15379 2/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ CYP3A4 P08684 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ MAPT P10636 1/20 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
SCHEMBL31162468 0.83 MEN1 (0.61) MEN1KMT2APOLBMAPT
SCHEMBL15938387 0.80 TGM2 (0.54) HDAC2HDAC1TGM2HDAC3ALDH1A1
SCHEMBL15938644 0.80 TGM2 (0.54) GSTO1HDAC2HDAC1TGM2HDAC3
SCHEMBL11336614 0.79 EGFR (0.59) ALDH1A1KDM4ENPC1RAB9ACYP3A4
SCHEMBL31162463 0.79 EGFR (0.59) ALDH1A1KDM4ENPC1RAB9ACYP3A4
SCHEMBL19575701 0.79 NPC1 (0.52) MEN1KMT2APOLBFADS1HDAC2
Hydrochloric Acid SCHEMBL18249511 0.79 TGM2 (0.53) GSTO1HDAC2HDAC1TGM2HDAC3
SCHEMBL28043945 0.78 HDAC1 (0.41) HDAC2HDAC1TGM2HDAC3
SCHEMBL9210058 0.77 HDAC1 (0.58) MEN1KMT2APOLBFADS1HDAC2
SCHEMBL15938598 0.76 TGM2 (0.58) GSTO1HDAC2HDAC1TGM2HDAC3

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 13 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
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 (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 MEN1 2133/4885KMT2A 2071/4885GSTO1 2454/4885
US-20160002176-A1 ERK INHIBITORS AND USES THEREOF MAPK1, MAPK3, MAP4K2 MEN1 1944/4885KMT2A 3528/4885GSTO1 2004/4885
US-20170210729-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 MEN1 2133/4885KMT2A 2071/4885GSTO1 2454/4885
US-20160082008-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 MEN1 2133/4885KMT2A 2071/4885GSTO1 2454/4885
US-20140228322-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 MEN1 2133/4885KMT2A 2071/4885GSTO1 2454/4885

“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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