SCHEMBL15948488

SCHEMBL15948488

C=CC(=O)Nc1ccccc1Nc1nc(Nc2cc(OC)nc(N3CCN(C(C)=O)CC3)c2)ncc1C(F)(F)F

nearest known ligand 0.85

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK3 P27361 16/20 0.85
EGFR P00533 4/20 0.61
GAK O14976 1/20 0.60
FES P07332 1/20 0.60
FER P16591 1/20 0.60
ERBB3 P21860 1/20 0.60
TEC P42680 1/20 0.60
CLK1 P49759 1/20 0.60
JAK3 P52333 1/20 0.60
PTK2 Q05397 1/20 0.60
BTK Q06187 1/20 0.60
TNK1 Q13470 1/20 0.60
ALK Q9UM73 1/20 0.60

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
SCHEMBL15938115 0.93 MAPK3 (0.87) MAPK3
SCHEMBL15938066 0.93 MAPK3 (0.98) MAPK3
SCHEMBL15938333 0.92 MAPK3 (1.00) MAPK3
SCHEMBL15938687 0.92 MAPK3 (0.87) MAPK3EGFRGAKFESFER
SCHEMBL15938852 0.92 MAPK3 (1.00) MAPK3
SCHEMBL15948599 0.91 MAPK3 (0.86) MAPK3
SCHEMBL15938097 0.90 MAPK3 (0.83) MAPK3EGFR
SCHEMBL15938411 0.90 MAPK3 (0.85) MAPK3
SCHEMBL15938409 0.90 MAPK3 (0.85) MAPK3EGFR
SCHEMBL21894393 0.90 MAPK3 (0.71) MAPK3

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 138/4885GAK 504/4885
US-20160002176-A1 ERK INHIBITORS AND USES THEREOF MAPK1, MAPK3, MAP4K2 MAPK3 2/4885EGFR 384/4885GAK 337/4885
US-20170210729-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 MAPK3 3/4885EGFR 138/4885GAK 504/4885
US-20160082008-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 MAPK3 3/4885EGFR 138/4885GAK 504/4885
US-20140228322-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 MAPK3 3/4885EGFR 138/4885GAK 504/4885

“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.