SCHEMBL29989792

SCHEMBL29989792

Nc1cc2c(cc1Cl)CN(C(=O)C(F)(F)F)CC2

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.60
ESR2 Q92731 6/20 0.60
PKM P14618 1/20 0.44
ABHD6 Q9BV23 4/20 0.38
ERCC1 P07992 1/20 0.38
ERCC4 Q92889 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
NR1H2 P55055 1/20 0.38
POLB P06746 1/20 0.36
CYP11B2 P19099 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
AXL P30530 1/20 0.36
TYRO3 Q06418 1/20 0.36
MERTK Q12866 1/20 0.36

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
SCHEMBL13395346 1.00 ESR1 (0.60) ESR1ESR2PKMABHD6ERCC1
SCHEMBL25204649 1.00 ESR1 (0.60) ESR1ESR2PKMABHD6ERCC1
SCHEMBL30411869 1.00 ESR1 (0.60) ESR1ESR2PKMABHD6ERCC1
SCHEMBL25206330 0.92 ESR1 (0.51) ESR1ESR2PKMABHD6HDAC6
SCHEMBL25204362 0.90 ESR1 (0.49) ESR1ESR2PKMABHD6HDAC8
SCHEMBL10067649 0.90 ESR2 (0.68) ESR1ESR2PKMABHD6ERCC1
SCHEMBL25226305 0.84 ESR1 (0.58) ESR1ESR2PKMABHD6HDAC8
SCHEMBL14991745 0.84 ESR1 (0.62) ESR1ESR2PKMABHD6ERCC1
SCHEMBL31164724 0.84 ESR1 (0.62) ESR1ESR2PKMABHD6ERCC1
SCHEMBL30411341 0.83 ESR1 (0.57) ESR1ESR2PKMABHD6HDAC8

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-4433059-A1 THIOPHENE ULK1/2 INHIBITORS AND THEIR USE THEREOF Erasca, Inc. (US) 2024-09-25 EP disclosed
US-20240208934-A1 ULK1/2 INHIBITORS AND THEIR USE THEREOF LIFEARC (GB) 2024-06-27 US disclosed
EP-4320121-A2 2,4-DIAMINOPYRIMIDINE DERIVATIVES AS ULK1/2 INHIBITORS AND THEIR USE THEREOF LifeArc (GB) 2024-02-14 EP disclosed
WO-2023215494-A1 THIOPHENE ULK1/2 INHIBITORS AND THEIR USE THEREOF ERASCA, INC. (US) 2023-11-09 WO disclosed
WO-2023087027-A1 THIOPHENE ULK1/2 INHIBITORS AND THEIR USE THEREOF ERASCA, INC. (US) 2023-05-19 WO disclosed
WO-2022214869-A2 ULK1/2 INHIBITORS AND THEIR USE THEREOF LIFEARC (GB) 2022-10-13 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-20240208934-A1 ULK1/2 INHIBITORS AND THEIR USE THEREOF ULK1, ULK2, ULK3 ESR1 2678/4885ESR2 1879/4885PKM 1770/4885

“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.