SCHEMBL16123201

SCHEMBL16123201

C=CC(=O)Nc1cc(Br)ccc1OCCCNC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.49
KDR P35968 17/20 0.49
ITK Q08881 3/20 0.46

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
SCHEMBL17371332 0.88 EGFR (0.46) EGFRKDRITK
SCHEMBL16096727 0.85 EGFR (0.51) EGFRKDR
SCHEMBL16101389 0.81 AAK1 (0.45) EGFRKDRITK
SCHEMBL17368526 0.81 EGFR (0.50) EGFRKDR
SCHEMBL1497381 0.80 EGFR (0.46) EGFRKDRITK
SCHEMBL2067099 0.80 PTGDR2 (0.52)
SCHEMBL12265220 0.80 EGFR (0.45) EGFRKDRITK
SCHEMBL16593002 0.79 AAK1 (0.61)
SCHEMBL16123200 0.79 CA12 (0.51)
SCHEMBL30935003 0.79 EGFR (0.59) EGFRKDR

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
CN-110746424-A MK2 inhibitors and uses thereof 西建卡尔有限责任公司 2020-02-04 CN disclosed
US-20190135835-A1 MK2 INHIBITORS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2019-05-09 US disclosed
US-20150376208-A1 MK2 INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2015-12-31 US disclosed
WO-2014149164-A1 MK2 INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2014-09-25 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-20150376208-A1 MK2 INHIBITORS AND USES THEREOF MKNK2, DUSP2, MKNK1 EGFR 3184/4885KDR 3111/4885ITK 2169/4885
US-20190135835-A1 MK2 INHIBITORS AND USES THEREOF MKNK2, DUSP2, MKNK1 EGFR 3184/4885KDR 3111/4885ITK 2169/4885

“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.