SCHEMBL1641841

SCHEMBL1641841

Nc1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 5/20 0.72
▸ ESR2 Q92731 5/20 0.72
▸ NR1H2 P55055 1/20 0.61
▸ PKM P14618 1/20 0.51
▸ ABHD6 Q9BV23 4/20 0.48
▸ HDAC6 Q9UBN7 2/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ MERTK Q12866 5/20 0.41
▸ TYRO3 Q06418 4/20 0.41
▸ AXL P30530 2/20 0.41
▸ NOTUM Q6P988 1/20 0.40

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
SCHEMBL29754116 1.00 ESR1 (0.72) ESR1ESR2NR1H2PKMABHD6
Hydrochloric Acid SCHEMBL1639774 0.99 ESR1 (0.70) ESR1ESR2NR1H2PKMABHD6
SCHEMBL4179872 0.94 ESR2 (0.72) ESR1ESR2NR1H2PKMABHD6
SCHEMBL3353692 0.92 ESR1 (0.60) ESR1ESR2NR1H2PKMABHD6
SCHEMBL373718 0.91 ESR1 (0.58) ESR1ESR2NR1H2PKMABHD6
SCHEMBL5913288 0.88 ESR1 (0.54) ESR1ESR2NR1H2ABHD6HDAC6
SCHEMBL29986831 0.88 ESR1 (0.54) ESR1ESR2NR1H2ABHD6HDAC6
SCHEMBL4183920 0.84 ESR1 (0.74) ESR1ESR2PKMABHD6MERTK
SCHEMBL28947577 0.83 ESR1 (0.52) ESR1ESR2NR1H2PKMABHD6
SCHEMBL3865684 0.82 ESR1 (0.72) ESR1ESR2PKMABHD6MERTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250243181-A2 NOVEL INDAZOLE DERIVATIVE AND USE THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2025-07-31 — — US disclosed
US-20250144094-A1 THIOPHENE ULK1/2 INHIBITORS AND THEIR USE THEREOF ERASCA, INC. 2025-05-08 — — US disclosed
US-20240270698-A2 NOVEL PYRIMIDINE DERIVATIVE AND USE THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2024-08-15 — — US disclosed
WO-2023215494-A1 THIOPHENE ULK1/2 INHIBITORS AND THEIR USE THEREOF ERASCA, INC. (US) 2023-11-09 — — WO disclosed
US-20230348399-A1 NOVEL PYRIMIDINE DERIVATIVE AND USE THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2023-11-02 — — US disclosed
US-20230348399-A1 NOVEL PYRIMIDINE DERIVATIVE AND USE THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2023-11-02 — — US disclosed
US-20230348399-A1 NOVEL PYRIMIDINE DERIVATIVE AND USE THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2023-11-02 — — US disclosed
WO-2023087027-A1 THIOPHENE ULK1/2 INHIBITORS AND THEIR USE THEREOF ERASCA, INC. (US) 2023-05-19 — — WO disclosed
US-20230116733-A1 NOVEL INDAZOLE DERIVATIVE AND USE THEREOF KOREA RESEARCH INSTITUTE OFCHEMICAL TECHNOLOGY (KR) 2023-04-13 — — US disclosed
EP-4079726-A1 NOVEL PYRIMIDIN DERIVATIVE AND USE THEREOF Korea Research Institute of Chemical Technology (KR) 2022-10-26 — — EP disclosed
WO-2003068732-A2 BENZENESULFONAMIDE DERIVATIVES AND THEIR USE AS DOPAMINE D3 AND D2 RECEPTOR LIGA DS GLAXO GROUP LIMITED (GB) 2003-08-21 — — WO disclosed
US-6248754-B1 PSYCHOLOGICAL DISORDERS SMITHKLINE BEECHAM, P.L.C. (GB) 2001-06-19 — — US disclosed
EP-1042296-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 2000-10-11 — — EP disclosed
US-6110934-A Substituted benzamide derivatives and their use as anticonvulsants SMITHKLINE BEECHAM P.L.C. (GB) 2000-08-29 — — US disclosed
EP-1005459-A1 SUBSTITUTED ISOQUINOLINES AS ANTICONVULSIVANTS SMITHKLINE BEECHAM PLC (GB) 2000-06-07 — — EP disclosed
WO-2000007993-A1 SUBSTITUTED ISOQUINOLEINES AND THEIR USE AS ANTICONVULSIVANTS SMITHKLINE BEECHAM PLC (GB) 2000-02-17 — — WO disclosed
WO-1999031068-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 1999-06-24 — — WO disclosed
EP-0906283-A1 SUBSTITUTED BENZAMIDE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 1999-04-07 — — EP disclosed
WO-1999014197-A1 SUBSTITUTED ISOQUINOLINES AS ANTICONVULSIVANTS SMITHKLINE BEECHAM PLC (GB) 1999-03-25 — — WO disclosed
WO-1997048683-A1 SUBSTITUTED BENZAMIDE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 1997-12-24 — — 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 (5 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 2354/4885NR1H2 3897/4885
US-20250243181-A2 NOVEL INDAZOLE DERIVATIVE AND USE THEREOF TRIB2, YAP1, IDO2 ESR1 3377/4885ESR2 1845/4885NR1H2 911/4885
US-20240270698-A2 NOVEL PYRIMIDINE DERIVATIVE AND USE THEREOF LRRK2, PFKL, PDK3 ESR1 4638/4885ESR2 4460/4885NR1H2 2592/4885
US-20230348399-A1 NOVEL PYRIMIDINE DERIVATIVE AND USE THEREOF LRRK2, PFKL, PDK3 ESR1 4638/4885ESR2 4460/4885NR1H2 2592/4885
US-20230116733-A1 NOVEL INDAZOLE DERIVATIVE AND USE THEREOF TRIB2, YAP1, IDO2 ESR1 3377/4885ESR2 1845/4885NR1H2 911/4885

“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.

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