SCHEMBL17864286

SCHEMBL17864286

Cc1ccc([C@@H]2CN(C)C[C@H]2N)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
PTGS2 P35354 1/20 0.36
ALDH1A1 P00352 8/20 0.32
MAPK1 P28482 2/20 0.32
KMT2A Q03164 3/20 0.32
KDM4E B2RXH2 3/20 0.32
MEN1 O00255 2/20 0.32
MAPT P10636 2/20 0.32
THRB P10828 1/20 0.32
GAA P10253 2/20 0.31
HPGD P15428 2/20 0.31
HSD17B10 Q99714 2/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
GLA P06280 1/20 0.31
ALOX15 P16050 1/20 0.31
CASP1 P29466 1/20 0.31
RAB9A P51151 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
SCHEMBL17864293 0.84 MAPK1 (0.32) MAPK1
SCHEMBL19349201 0.84 MAPK1 (0.32) MAPK1
SCHEMBL19382021 0.80 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3PTGS2ALDH1A1
SCHEMBL17864291 0.78 KDM1A (0.49) SLC6A4SLC6A3MAPK1
SCHEMBL19368205 0.76 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3PTGS2ALDH1A1
SCHEMBL23879771 0.75 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3PTGS2ALDH1A1
SCHEMBL1643827 0.73 ALDH1A1 (0.34) SLC6A2SLC6A4SLC6A3ALDH1A1KMT2A
SCHEMBL1644647 0.73 ALDH1A1 (0.34) SLC6A2SLC6A4SLC6A3ALDH1A1KMT2A
SCHEMBL1643829 0.73 ALDH1A1 (0.34) SLC6A2SLC6A4SLC6A3ALDH1A1KMT2A
SCHEMBL17864290 0.69 MAPK1 (0.34) ALDH1A1MAPK1KMT2AKDM4EMEN1

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 10 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
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-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 SLC6A2 1646/4885SLC6A4 2587/4885SLC6A3 2497/4885

“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.