SCHEMBL17844743

SCHEMBL17844743

NC(c1ccccc1)C(O)COC1CCCCO1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
SLC6A3 Q01959 2/20 0.40
KDM4C Q9H3R0 1/20 0.39
PSEN1 P49768 4/20 0.37
PSEN2 P49810 4/20 0.37
SPPL2A Q8TCT8 4/20 0.37
APH1B Q8WW43 4/20 0.37
NCSTN Q92542 4/20 0.37
APH1A Q96BI3 4/20 0.37
PSENEN Q9NZ42 4/20 0.37
HPGD P15428 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
PKM P14618 1/20 0.34
CYP2C19 P33261 1/20 0.34
DPP4 P27487 2/20 0.33
IDO1 P14902 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL17844317 0.83 MEN1 (0.43) MEN1KMT2ASLC6A3KDM4CHPGD
SCHEMBL17835751 0.83 MEN1 (0.43) MEN1KMT2ASLC6A3KDM4CHPGD
SCHEMBL8319743 0.78 KDM4C (0.42) MEN1KMT2ASLC6A3KDM4CHPGD
SCHEMBL19361665 0.76 MEN1 (0.35) MEN1KMT2AKDM4C
SCHEMBL17845985 0.76 SLC6A3 (0.41) MEN1KMT2ASLC6A3KDM4CHPGD
SCHEMBL7097200 0.76 EPHX1 (0.43) MEN1KMT2AKDM4C
SCHEMBL17846160 0.76 MEN1 (0.41) MEN1KMT2ASLC6A3KDM4CGAA
SCHEMBL13460358 0.75 MEN1 (0.49) MEN1KMT2AKDM4CHPGDCYP2D6
SCHEMBL10394025 0.74 MEN1 (0.39) MEN1KMT2ASLC6A3KDM4CHPGD
SCHEMBL10455908 0.73 SLC6A3 (0.46) MEN1KMT2ASLC6A3KDM4CHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233859-B1 BRIDGED PYRAZOLOPYRIDINE DERIVATIVES AS ERK INHIBITORS USEFUL FOR THE TREATEMENT OF CANCER MERCK SHARP & DOHME (US) 2019-08-07 EP disclosed
US-9988397-B2 ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2018-06-05 US disclosed
EP-3233859-A1 ERK INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-10-25 EP disclosed
US-20170267695-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-09-21 US disclosed
WO-2016095088-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-06-23 WO disclosed
WO-2016100051-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-20170267695-A1 ERK INHIBITORS MAPK1, MAP3K1, MAPK4 MEN1 1248/4885KMT2A 1567/4885SLC6A3 3477/4885

“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.