SCHEMBL15938666

SCHEMBL15938666

CN(C)CCC(=O)Nc1ccccc1N

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 15/20 0.66
▸ HDAC1 Q13547 14/20 0.66
▸ HDAC2 Q92769 13/20 0.66
▸ HDAC10 Q969S8 8/20 0.66
▸ HDAC6 Q9UBN7 7/20 0.66
▸ HDAC4 P56524 7/20 0.66
▸ HDAC8 Q9BY41 7/20 0.66
▸ NCOR2 Q9Y618 6/20 0.66
▸ HDAC7 Q8WUI4 6/20 0.66
▸ HDAC11 Q96DB2 6/20 0.66
▸ HDAC9 Q9UKV0 6/20 0.66
▸ HDAC5 Q9UQL6 6/20 0.66
▸ TERT O14746 2/20 0.60
▸ NCOR1 O75376 1/20 0.51
▸ ITGB2 P05107 1/20 0.51
▸ ICAM1 P05362 1/20 0.51
▸ ITGAL P20701 1/20 0.51

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
SCHEMBL7789440 0.83 HDAC1 (0.79) HDAC3HDAC1HDAC2HDAC10HDAC6
SCHEMBL14818784 0.82 HDAC3 (0.62) HDAC3HDAC1HDAC2HDAC10HDAC6
SCHEMBL11719473 0.81 HDAC3 (0.72) HDAC3HDAC1HDAC2HDAC10HDAC6
SCHEMBL7273295 0.81 HDAC1 (0.66) HDAC3HDAC1HDAC2HDAC10HDAC6
SCHEMBL15966086 0.81 HDAC3 (0.63) HDAC3HDAC1HDAC2HDAC10HDAC6
Hydrochloric Acid SCHEMBL8957362 0.80 HDAC3 (0.70) HDAC3HDAC1HDAC2HDAC10HDAC6
SCHEMBL8241153 0.80 HDAC3 (1.00) HDAC3HDAC1HDAC2HDAC10HDAC6
SCHEMBL28994432 0.79 TERT (0.48) HDAC3HDAC1HDAC2HDAC10HDAC6
SCHEMBL27736940 0.79 HDAC3 (0.78) HDAC3HDAC1HDAC2HDAC10HDAC6
SCHEMBL25248640 0.79 HDAC3 (0.72) HDAC3HDAC1HDAC2HDAC10HDAC6

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 HDAC3 770/4885HDAC1 789/4885HDAC2 976/4885
US-20160002176-A1 ERK INHIBITORS AND USES THEREOF MAPK1, MAPK3, MAP4K2 HDAC3 1673/4885HDAC1 931/4885HDAC2 1219/4885
US-20170210729-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 HDAC3 770/4885HDAC1 789/4885HDAC2 976/4885
US-20160082008-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 HDAC3 770/4885HDAC1 789/4885HDAC2 976/4885
US-20140228322-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 HDAC3 770/4885HDAC1 789/4885HDAC2 976/4885

“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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