SCHEMBL15948591

SCHEMBL15948591

C=CC(=O)Nc1ccccc1Nc1nc(Nc2ccc(NC(C)=O)cc2CF)ncc1Cl

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK3 P27361 16/20 0.64
MAP3K7 O43318 2/20 0.59
MAPK1 P28482 2/20 0.57
MAP2K1 Q02750 2/20 0.57
FGFR1 P11362 1/20 0.57
SRC P12931 1/20 0.57
EGFR P00533 2/20 0.55
ROS1 P08922 1/20 0.55
ALK Q9UM73 1/20 0.55

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
SCHEMBL15938084 0.86 MAPK3 (0.72) MAPK3MAP3K7MAPK1MAP2K1FGFR1
SCHEMBL15948641 0.84 MAPK3 (0.79) MAPK3MAPK1MAP2K1
SCHEMBL18857471 0.80 MAPK3 (0.75) MAPK3MAPK1MAP2K1
SCHEMBL15938641 0.78 MAPK3 (1.00) MAPK3MAPK1MAP2K1
SCHEMBL18470027 0.78 ALK (0.62) MAPK3MAP3K7EGFRROS1ALK
SCHEMBL15938621 0.78 MAPK3 (0.83) MAPK3EGFRROS1ALK
SCHEMBL15948424 0.78 MAPK3 (0.83) MAPK3EGFRROS1ALK
SCHEMBL15938385 0.78 MAPK3 (1.00) MAPK3EGFRROS1ALK
SCHEMBL21894054 0.78 MAPK3 (0.70) MAPK3MAP3K7MAPK1MAP2K1FGFR1
SCHEMBL17409774 0.77 MAPK3 (0.82) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20160002176-A1 ERK INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2016-01-07 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 (3 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 3/4885MAP3K7 5/4885MAPK1 8/4885
US-20160002176-A1 ERK INHIBITORS AND USES THEREOF MAPK1, MAPK3, MAP4K2 MAPK3 2/4885MAP3K7 5/4885MAPK1 1/4885
US-20140228322-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 MAPK3 3/4885MAP3K7 5/4885MAPK1 8/4885

“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.