SCHEMBL15948424

SCHEMBL15948424

C=CC(=O)Nc1ccccc1Nc1nc(Nc2ccc(NC(=O)OC)cc2OC)ncc1Cl

nearest known ligand 0.83

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK3 P27361 13/20 0.83
EGFR P00533 6/20 0.69
ERBB2 P04626 1/20 0.67
ERBB3 P21860 1/20 0.67
ERBB4 Q15303 1/20 0.67
ALK Q9UM73 3/20 0.67
ROS1 P08922 2/20 0.67

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
SCHEMBL15938621 0.93 MAPK3 (0.83) MAPK3EGFRERBB2ERBB3ERBB4
SCHEMBL15938385 0.91 MAPK3 (1.00) MAPK3EGFRERBB2ERBB3ERBB4
SCHEMBL15938249 0.89 MAPK3 (1.00) MAPK3EGFRERBB2ERBB3ERBB4
SCHEMBL15939082 0.88 MAPK3 (1.00) MAPK3EGFRERBB2ERBB3ERBB4
SCHEMBL15937918 0.88 MAPK3 (1.00) MAPK3EGFR
SCHEMBL13728340 0.85 MAPK3 (0.71) MAPK3EGFRERBB2ERBB3ERBB4
SCHEMBL2592584 0.85 MAPK3 (0.71) MAPK3EGFRERBB2ERBB3ERBB4
SCHEMBL17102722 0.84 MAPK3 (0.76) MAPK3EGFRALK
SCHEMBL21894154 0.84 MAPK3 (0.74) MAPK3EGFR
SCHEMBL15938705 0.84 MAPK3 (0.74) MAPK3EGFRALK

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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 MAPK3 3/4885EGFR 138/4885ERBB2 76/4885
US-20160002176-A1 ERK INHIBITORS AND USES THEREOF MAPK1, MAPK3, MAP4K2 MAPK3 2/4885EGFR 384/4885ERBB2 127/4885
US-20170210729-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 MAPK3 3/4885EGFR 138/4885ERBB2 76/4885
US-20160082008-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 MAPK3 3/4885EGFR 138/4885ERBB2 76/4885
US-20140228322-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 MAPK3 3/4885EGFR 138/4885ERBB2 76/4885

“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.