SCHEMBL19731338

SCHEMBL19731338

CCc1cccc(CBr)c1C(=O)OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.50
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA7 P43166 3/20 0.50
CA9 Q16790 3/20 0.50
CA14 Q9ULX7 3/20 0.50
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
GABRA1 P14867 2/20 0.41
GABRB2 P47870 2/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HTT P42858 1/20 0.39
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
TSHR P16473 2/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37

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
SCHEMBL9544732 0.94 CA12 (0.55) CA12CA1CA2CA7CA9
SCHEMBL1424324 0.84 ALDH1A1 (0.53) CA12CA1CA2CA7CA9
SCHEMBL2876253 0.84 CA12 (0.48) CA12CA1CA2CA7CA9
SCHEMBL4074676 0.84 CA12 (0.48) CA12CA1CA2CA7CA9
SCHEMBL28104569 0.84 CA12 (0.69) CA12CA1CA2CA7CA9
SCHEMBL484670 0.83 LMNA (0.49) CA12CA1CA2CA7CA9
SCHEMBL8322933 0.83 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL1091533 0.83 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL14352049 0.83 HDAC1 (0.57) CA12CA1CA2CA7CA9
SCHEMBL5792294 0.82 CA12 (0.50) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10471051-B2 Heterocyclic inhibitors of ERK1 and ERK2 and their use in the treatment of cancer ASANA BIOSCIENCES, LLC (US) 2019-11-12 US disclosed
US-20170362216-A1 HETEROCYCLIC INHIBITORS OF ERK1 AND ERK2 AND THEIR USE IN THE TREATEMENT OF CANCER ASANA BIOSCIENCES, LLC 2017-12-21 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 (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-20170362216-A1 HETEROCYCLIC INHIBITORS OF ERK1 AND ERK2 AND THEIR USE IN THE TREATEMENT OF CANCER KRAS, NRAS, RAF1 CA12 4596/4885CA1 3769/4885CA2 3023/4885
US-10471051-B2 Heterocyclic inhibitors of ERK1 and ERK2 and their use in the treatment of cancer KRAS, NRAS, RAF1 CA12 4256/4885CA1 3756/4885CA2 2952/4885

“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.