SCHEMBL17555409

SCHEMBL17555409

COC(=O)C=Cc1cc2c(-c3ccnc(C)c3)nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2cc1N

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 9/20 0.34
IP6K1 Q92551 1/20 0.33
IP6K3 Q96PC2 1/20 0.33
IP6K2 Q9UHH9 1/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
AKT1 P31749 2/20 0.32
AKT2 P31751 1/20 0.32
PORCN Q9H237 1/20 0.32
ADORA2A P29274 1/20 0.32
MAP3K7 O43318 1/20 0.31
TAB1 Q15750 1/20 0.31
TDO2 P48775 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
SCHEMBL17555408 1.00 MAPK1 (0.34) MAPK1IP6K1IP6K3IP6K2CCNC
SCHEMBL16213640 0.91 MEN1 (0.33) MAPK1L3MBTL1ADORA2ATDO2
SCHEMBL16213639 0.91 MEN1 (0.33) MAPK1L3MBTL1ADORA2ATDO2
SCHEMBL17567301 0.87 POLB (0.39) MAPK1L3MBTL1
SCHEMBL16619981 0.85 MAPK1 (0.33) MAPK1ADORA2ATDO2
SCHEMBL22284230 0.81 ADORA2A (0.36) MAPK1ADORA2ATDO2
SCHEMBL19567939 0.78 MAPK1 (0.36) MAPK1ADORA2A
SCHEMBL17555398 0.78 MAPT (0.42) L3MBTL1
SCHEMBL17555399 0.78 MAPT (0.42) L3MBTL1
SCHEMBL17555400 0.78 MAPT (0.42) L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10759805-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2020-09-01 US disclosed
EP-2991654-B1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME (US) 2018-11-21 EP disclosed
US-20180319804-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-11-08 US disclosed
US-10065967-B2 Compounds that are ERK inhibitors Merck, Sharp & Dohme Corp. (US) 2018-09-04 US disclosed
US-20170320882-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-11-09 US disclosed
US-9745307-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-29 US disclosed
US-20160068532-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-03-10 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-10759805-B2 Compounds that are ERK inhibitors MAPK1, MAPK4, MAP3K1 MAPK1 1/4885IP6K1 638/4885IP6K3 799/4885
US-20180319804-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAPK4, MAPK10 MAPK1 1/4885IP6K1 467/4885IP6K3 606/4885
US-20170320882-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAPK4, MAPK10 MAPK1 1/4885IP6K1 467/4885IP6K3 606/4885
US-10065967-B2 Compounds that are ERK inhibitors MAPK1, MAPK4, MAP3K1 MAPK1 1/4885IP6K1 638/4885IP6K3 799/4885
US-20160068532-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAP3K20, MAPK6 MAPK1 1/4885IP6K1 441/4885IP6K3 478/4885

“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.