SCHEMBL17847998

SCHEMBL17847998

CCNC(=O)n1ncc2cc(Cl)ncc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.53
ASAH1 Q13510 2/20 0.42
KMT2A Q03164 3/20 0.40
MAPT P10636 3/20 0.39
RAB9A P51151 3/20 0.39
SHMT2 P34897 2/20 0.39
GAA P10253 2/20 0.38
TP53 P04637 1/20 0.38
NPC1 O15118 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
CCR9 P51686 2/20 0.36
POLB P06746 1/20 0.35
TGFBR1 P36897 1/20 0.35
MEN1 O00255 2/20 0.35
CHEK1 O14757 1/20 0.35
AURKA O14965 1/20 0.35
DAPK3 O43293 1/20 0.35

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
SCHEMBL27856881 0.81 CCR9 (0.38) MAPK1KMT2AMAPTRAB9ASHMT2
SCHEMBL600231 0.79 CHEK1 (0.54) MAPK1KMT2AMAPTRAB9ASHMT2
SCHEMBL29545233 0.79 CHEK1 (0.54) MAPK1KMT2AMAPTRAB9ASHMT2
SCHEMBL17847964 0.77 CCR9 (0.39) MAPK1KMT2AMAPTRAB9ASHMT2
SCHEMBL17848025 0.72 ROCK2 (0.44) RAB9ASHMT2CCR9CHEK1AURKA
SCHEMBL23576511 0.70 HPGDS (0.43) KMT2AAURKA
SCHEMBL12535873 0.67 TRPM5 (0.43) MAPK1CCR9
SCHEMBL29686444 0.64 LMNA (0.44) RAB9ATP53POLB
SCHEMBL26100314 0.64 LMNA (0.44) RAB9ATP53POLB
SCHEMBL27623667 0.64 CHEK1 (0.37) MAPK1ASAH1KMT2AMAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233858-B1 ERK INHIBITORS MERCK SHARP & DOHME (US) 2019-10-30 EP disclosed
EP-3233858-B1 ERK INHIBITORS MERCK SHARP & DOHME (US) 2019-10-30 EP disclosed
US-9884048-B2 ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2018-02-06 US disclosed
US-9884048-B2 ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2018-02-06 US disclosed
US-9884048-B2 ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2018-02-06 US disclosed
EP-3233858-A1 ERK INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-10-25 EP disclosed
US-20170266167-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-09-21 US disclosed
US-20170266167-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-09-21 US disclosed
US-20170266167-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-09-21 US disclosed
WO-2016100050-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-06-23 WO disclosed
WO-2016100050-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-06-23 WO disclosed
WO-2016095089-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-06-23 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-20170266167-A1 ERK INHIBITORS MAPK1, MAPK3, MAPK6 MAPK1 1/4885ASAH1 1352/4885KMT2A 3239/4885

“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.