SCHEMBL2658095

SCHEMBL2658095

COC(=O)c1ccn2ccnc2c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 1/20 0.42
KDM4E B2RXH2 6/20 0.40
ALDH1A1 P00352 3/20 0.40
GAA P10253 2/20 0.40
GLA P06280 1/20 0.40
POLB P06746 2/20 0.39
ATM Q13315 1/20 0.39
LMNA P02545 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
MYC P01106 1/20 0.36
MAP2K1 Q02750 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
CYP46A1 Q9Y6A2 1/20 0.35
AHR P35869 1/20 0.35

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
SCHEMBL17838193 0.78 IRAK4 (0.51) HCRTR2KDM4EALDH1A1GAAGLA
SCHEMBL1878367 0.78 KDM4E (0.49) HCRTR2KDM4EALDH1A1GAAGLA
SCHEMBL3522370 0.74 L3MBTL1 (0.47) HCRTR2KDM4EALDH1A1GAAGLA
SCHEMBL30582385 0.73 KDM4E (0.43) HCRTR2KDM4EALDH1A1GLAHSD17B10
SCHEMBL19280497 0.73 ATR (0.43) HCRTR2KDM4EALDH1A1GAAGLA
SCHEMBL14848241 0.73 IRAK4 (0.39) HCRTR2KDM4EALDH1A1IRAK4SMN1; SMN2
SCHEMBL16198463 0.70 KDM4E (0.46) HCRTR2KDM4EALDH1A1GAAGLA
SCHEMBL522062 0.70 CA12 (0.52) KDM4EALDH1A1GAAGLAPOLB
SCHEMBL12888242 0.70 NUDT1 (0.42) L3MBTL1CYP1A2
SCHEMBL2499260 0.69 KDM4E (0.40) KDM4EALDH1A1GAAL3MBTL1MYC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119874700-A HPK1 antagonists and uses thereof 林伯士萨顿公司 2025-04-25 CN disclosed
US-12215105-B2 HPK1 antagonists and uses thereof Nimbus Saturn, Inc. (US) 2025-02-04 US disclosed
CN-114945366-B HPK1 antagonists and uses thereof 林伯士萨顿公司 2025-01-07 CN disclosed
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF SCHRÖDINGER, INC. 2024-01-25 US disclosed
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF SCHRÖDINGER, INC. 2024-01-25 US disclosed
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF SCHRÖDINGER, INC. 2024-01-25 US disclosed
US-11548890-B1 HPK1 antagonists and uses thereof Nimbus Saturn, Inc. (US) 2023-01-10 US disclosed
US-11548890-B1 HPK1 antagonists and uses thereof Nimbus Saturn, Inc. (US) 2023-01-10 US disclosed
EP-4027995-A1 HPK1 ANTAGONISTS AND USES THEREOF Nimbus Saturn, Inc. (US) 2022-07-20 EP disclosed
US-11078201-B2 Substituted isoindolin-1-ones and 2,3-dihydro-1H-pyrrol[3,4-c]pyridin-1-ones as HPK1 antagonists Nimbus Saturn, Inc. (US) 2021-08-03 US disclosed
WO-2021050964-A1 HPK1 ANTAGONISTS AND USES THEREOF Nimbus Saturn, Inc. (US) 2021-03-18 WO disclosed
US-20210078996-A1 HPK1 ANTAGONISTS AND USES THEREOF CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) 2021-03-18 US disclosed
US-20210078997-A1 SUBSTITUTED ISOINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROL[3,4-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) 2021-03-18 US disclosed
US-20210078997-A1 SUBSTITUTED ISOINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROL[3,4-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) 2021-03-18 US disclosed
WO-2021050964-A1 HPK1 ANTAGONISTS AND USES THEREOF Nimbus Saturn, Inc. (US) 2021-03-18 WO disclosed
US-20210078998-A1 SUBSTITUTED ISOINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROLO[3,4-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) 2021-03-18 US disclosed
US-20210078996-A1 HPK1 ANTAGONISTS AND USES THEREOF CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) 2021-03-18 US disclosed
EP-1511747-B1 IMIDAZO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2006-04-12 EP disclosed
EP-1511747-A1 IMIDAZO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2005-03-09 EP disclosed
WO-2003099816-A1 IMIDAZO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2003-12-04 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 (7 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-11548890-B1 HPK1 antagonists and uses thereof PDXK, HIPK1, PCK1 HCRTR2 2739/4885KDM4E 3143/4885ALDH1A1 4740/4885
US-20210078998-A1 SUBSTITUTED ISOINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROLO[3,4-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS HIPK1, PDXK, IP6K1 HCRTR2 1657/4885KDM4E 3589/4885ALDH1A1 4044/4885
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 HCRTR2 2739/4885KDM4E 3143/4885ALDH1A1 4740/4885
US-20210078997-A1 SUBSTITUTED ISOINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROL[3,4-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS HIPK1, PDXK, IP6K1 HCRTR2 1829/4885KDM4E 3754/4885ALDH1A1 3749/4885
US-20210078996-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 HCRTR2 2739/4885KDM4E 3143/4885ALDH1A1 4740/4885
US-11078201-B2 Substituted isoindolin-1-ones and 2,3-dihydro-1H-pyrrol[3,4-c]pyridin-1-ones as HPK1 antagonists HIPK1, PDXK, IP6K1 HCRTR2 1829/4885KDM4E 3754/4885ALDH1A1 3749/4885
US-12215105-B2 HPK1 antagonists and uses thereof PDXK, HIPK1, PCK1 HCRTR2 2739/4885KDM4E 3143/4885ALDH1A1 4740/4885

“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.