SCHEMBL15942177

SCHEMBL15942177

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

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ HDAC1 Q13547 5/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HDAC2 Q92769 3/20 0.36
▸ HDAC3 O15379 2/20 0.36
▸ CAPN1 P07384 1/20 0.36
▸ FGFR1 P11362 7/20 0.35
▸ FGFR4 P22455 7/20 0.35
▸ TGM2 P21980 2/20 0.35
▸ BCL2A1 Q16548 1/20 0.34
▸ PRMT1 Q99873 1/20 0.34

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
SCHEMBL28043945 0.82 HDAC1 (0.41) THRATHRBHDAC1LMNAHDAC2
SCHEMBL17847687 0.81 HDAC2 (0.38) THRATHRBHDAC1LMNAHDAC2
SCHEMBL15942237 0.75 HDAC2 (0.50) HDAC1HDAC2HDAC3FGFR1FGFR4
SCHEMBL15941425 0.74 BTK (0.41) HDAC1HDAC2HDAC3FGFR1FGFR4
SCHEMBL15938387 0.73 TGM2 (0.54) HDAC1ALDH1A1HDAC2HDAC3TGM2
SCHEMBL15938644 0.73 TGM2 (0.54) THRBHDAC1HDAC2HDAC3FGFR1
SCHEMBL15938273 0.73 MEN1 (0.43) HDAC1ALDH1A1HDAC2HDAC3TGM2
SCHEMBL15941566 0.72 BCL2A1 (0.51) HDAC1LMNAHDAC2HDAC3FGFR4
SCHEMBL15941228 0.72 EGFR (0.49) ALDH1A1LMNABCL2A1
Hydrochloric Acid SCHEMBL18249511 0.72 TGM2 (0.53) HDAC1HDAC2HDAC3FGFR1FGFR4

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 7 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-20170210729-A1 ERK INHIBITORS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2017-07-27 — — US disclosed
US-9561228-B2 ERK inhibitors and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2017-02-07 — — 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
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 (2 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-20160002176-A1 ERK INHIBITORS AND USES THEREOF MAPK1, MAPK3, MAP4K2 THRA 2557/4885THRB 760/4885HDAC1 931/4885
US-20170210729-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 THRA 3418/4885THRB 1176/4885HDAC1 789/4885

“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.

Send feedback