SCHEMBL585650

SCHEMBL585650

O=C(N1CCc2ccc(Br)cc2C1)C(F)(F)F

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.72
ESR2 Q92731 6/20 0.72
ABHD6 Q9BV23 5/20 0.68
PKM P14618 1/20 0.51
HDAC6 Q9UBN7 2/20 0.45
HDAC8 Q9BY41 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
HSD17B3 P37058 1/20 0.44
AKR1C3 P42330 1/20 0.43
CCR2 P41597 1/20 0.42

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
SCHEMBL30411956 1.00 ESR1 (0.72) ESR1ESR2ABHD6PKMHDAC6
SCHEMBL419896 0.94 ESR2 (0.72) ESR1ESR2ABHD6PKMHDAC6
SCHEMBL1787936 0.91 ABHD6 (0.60) ESR1ESR2ABHD6PKMHDAC6
SCHEMBL25200187 0.88 ABHD6 (0.65) ESR1ESR2ABHD6HDAC6HDAC8
SCHEMBL30575082 0.84 ABHD6 (0.60) ESR1ESR2ABHD6HDAC6HDAC8
SCHEMBL4183920 0.84 ESR1 (0.74) ESR1ESR2ABHD6PKMNPC1
SCHEMBL8266789 0.82 ESR1 (0.72) ESR1ESR2ABHD6PKMHDAC6
SCHEMBL13259386 0.82 ESR1 (0.72) ESR1ESR2ABHD6PKMHDAC6
SCHEMBL2616863 0.82 ESR1 (0.72) ESR1ESR2ABHD6PKMHDAC6
SCHEMBL1641841 0.82 ESR1 (0.72) ESR1ESR2ABHD6PKMHDAC6

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 110 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250144094-A1 THIOPHENE ULK1/2 INHIBITORS AND THEIR USE THEREOF ERASCA, INC. 2025-05-08 US disclosed
EP-4433059-A1 THIOPHENE ULK1/2 INHIBITORS AND THEIR USE THEREOF Erasca, Inc. (US) 2024-09-25 EP disclosed
WO-2023215494-A1 THIOPHENE ULK1/2 INHIBITORS AND THEIR USE THEREOF ERASCA, INC. (US) 2023-11-09 WO 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-2023087027-A1 THIOPHENE ULK1/2 INHIBITORS AND THEIR USE THEREOF ERASCA, INC. (US) 2023-05-19 WO disclosed
US-11084824-B2 Pyrazolopyrimidine derivatives, preparation method thereof, and pharmaceutical composition for use in preventing or treating cancer, autoimmune disease and brain disease containing the same as an active ingredient KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2021-08-10 US disclosed
US-11084824-B2 Pyrazolopyrimidine derivatives, preparation method thereof, and pharmaceutical composition for use in preventing or treating cancer, autoimmune disease and brain disease containing the same as an active ingredient KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2021-08-10 US disclosed
EP-3190113-B1 PYRROLOPYRIMIDINE COMPOUNDS USED AS TLR7 AGONIST CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) 2021-05-19 EP disclosed
EP-3097101-B1 ISOQUINOLINE DERIVATIVES AS MGAT2 INHIBITORS MERCK SHARP & DOHME (US) 2020-12-23 EP disclosed
EP-0922035-B1 TETRAHYDROISOQUINOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE SMITHKLINE BEECHAM PLC (GB) 2001-02-07 EP disclosed
US-6143762-A DRUGS AS DOPAMINE ANTAGONIST PSYCHOLOGICAL DISORDERS SMITHKLINE BEECHAM, PLC (GB) 2000-11-07 US disclosed
EP-0983245-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS SMITHKLINE BEECHAM PLC (GB) 2000-03-08 EP disclosed
EP-0983244-A1 TETRAHYDROISOQUINOLINE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS SMITHKLINE BEECHAM PLC (GB) 2000-03-08 EP disclosed
EP-0981516-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE DERIVATIVES AS MODULATORS OF DOPAMINE D?3 RECEPTORS SMITHKLINE BEECHAM PLC (GB) 2000-03-01 EP disclosed
EP-0922035-A1 TETRAHYDROISOQUINOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE SMITHKLINE BEECHAM PLC (GB) 1999-06-16 EP disclosed
WO-1998051671-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS SMITHKLINE BEECHAM PLC (GB) 1998-11-19 WO disclosed
WO-1998050364-A1 TETRAHYDROISOQUINOLINE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS SMITHKLINE BEECHAM PLC (GB) 1998-11-12 WO disclosed
WO-1998049145-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS SMITHKLINE BEECHAM PLC (GB) 1998-11-05 WO disclosed
WO-1998006699-A1 TETRAHYDROISOQUINOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE SMITHKLINE BEECHAM PLC (GB) 1998-02-19 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 (2 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-20250144094-A1 THIOPHENE ULK1/2 INHIBITORS AND THEIR USE THEREOF ULK1, ULK2, ULK3 ESR1 3000/4885ESR2 2354/4885ABHD6 4000/4885
US-11084824-B2 Pyrazolopyrimidine derivatives, preparation method thereof, and pharmaceutical composition for use in preventing or treating cancer, autoimmune disease and brain disease containing the same as an active ingredient BTK, SYK, LCK ESR1 4753/4885ESR2 4806/4885ABHD6 2337/4885

“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.