SCHEMBL17873704

SCHEMBL17873704

COCCN1C(=O)c2cc(-c3ccnc(Cl)c3)sc2C1(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK3 P27361 1/20 0.39
MAPK1 P28482 1/20 0.39
ROCK2 O75116 2/20 0.39
CDC7 O00311 5/20 0.35
DBF4 Q9UBU7 5/20 0.35
BACE1 P56817 2/20 0.34
RORB Q92753 2/20 0.32
POLQ O75417 1/20 0.32
PIP4K2A P48426 1/20 0.32
PIP4K2C Q8TBX8 1/20 0.32
ROCK1 Q13464 3/20 0.32
RORC P51449 1/20 0.31
IGF1R P08069 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
PARP10 Q53GL7 1/20 0.31
PARP11 Q9NR21 1/20 0.31
IDO1 P14902 1/20 0.31

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
SCHEMBL19350375 0.94 MAPK3 (0.38) MAPK3MAPK1ROCK2CDC7DBF4
SCHEMBL19350395 0.90 ROCK2 (0.37) MAPK3MAPK1ROCK2CDC7DBF4
SCHEMBL19350394 0.89 ROCK2 (0.37) MAPK3MAPK1ROCK2CDC7DBF4
SCHEMBL19383005 0.89 MAPK3 (0.38) MAPK3MAPK1ROCK2CDC7DBF4
SCHEMBL17873723 0.89 MAPK3 (0.38) MAPK3MAPK1ROCK2CDC7DBF4
SCHEMBL19350408 0.87 CDC7 (0.39) MAPK3MAPK1ROCK2CDC7DBF4
SCHEMBL19350381 0.87 MAPK3 (0.38) MAPK3MAPK1ROCK2CDC7DBF4
SCHEMBL17873715 0.87 MAPK3 (0.40) MAPK3MAPK1ROCK2CDC7DBF4
SCHEMBL19350412 0.86 MAPK3 (0.36) MAPK3MAPK1ROCK2CDC7DBF4
SCHEMBL17873734 0.83 ROCK2 (0.38) MAPK3MAPK1ROCK2CDC7DBF4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3237420-B1 ERK INHIBITORS LILLY CO ELI (US) 2018-09-26 EP disclosed
US-9879029-B2 ERK inhibitors ELI LILLY AND COMPANY (US) 2018-01-30 US disclosed
US-9879029-B2 ERK inhibitors ELI LILLY AND COMPANY (US) 2018-01-30 US disclosed
US-9879029-B2 ERK inhibitors ELI LILLY AND COMPANY (US) 2018-01-30 US disclosed
EP-3237420-A1 ERK INHIBITORS Eli Lilly and Company (US) 2017-11-01 EP disclosed
US-20170267691-A1 ERK INHIBITORS LILLY CO ELI (US) 2017-09-21 US disclosed
US-20170267691-A1 ERK INHIBITORS LILLY CO ELI (US) 2017-09-21 US disclosed
US-20170267691-A1 ERK INHIBITORS LILLY CO ELI (US) 2017-09-21 US disclosed
WO-2016106009-A1 ERK INHIBITORS ELI LILLY AND COMPANY (US) 2016-06-30 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 (1 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-20170267691-A1 ERK INHIBITORS MAPK4, MAPK1, MAPK3 MAPK3 3/4885MAPK1 2/4885ROCK2 570/4885

“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.