SCHEMBL23089282

SCHEMBL23089282

N#Cc1cc(OC(N)=O)ncc1Br

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.35
HTT P42858 1/20 0.34
ABL1 P00519 1/20 0.33
KDR P35968 1/20 0.33
MBOAT4 Q96T53 1/20 0.32
KDM4E B2RXH2 2/20 0.32
HSD17B10 Q99714 1/20 0.32
NNMT P40261 1/20 0.31
XDH P47989 2/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
CYP11B2 P19099 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.30
SIRT6 Q8N6T7 1/20 0.30
F2 P00734 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
GAA P10253 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL28532929 0.79 CASP1 (0.37) GRM4CYP11B2
SCHEMBL15881230 0.77 NNMT (0.46) KDM4EHSD17B10NNMTKMT2AMEN1
SCHEMBL20606267 0.76 NNMT (0.38) HTTMBOAT4NNMTKMT2AMEN1
SCHEMBL23089103 0.74 NNMT (0.31) NNMTKMT2AMEN1SIRT6
SCHEMBL28583621 0.74 XDH (0.45) XDH
SCHEMBL28912500 0.73 PLAU (0.33) NNMTKMT2AMEN1SIRT6POLB
SCHEMBL29113184 0.73 MAPK10 (0.37) KMT2AMEN1MAPTGAA
SCHEMBL28898024 0.72 NCOA1 (0.43) HTTHSD17B10KMT2AMEN1ALDH1A1
SCHEMBL28881727 0.72 PRKCQ (0.45) KMT2AMEN1
SCHEMBL8723695 0.70 HSD11B1 (0.41) KDM4ENNMTKMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-114945366-A HPK1 antagonists and uses thereof 林伯士萨顿公司 2022-08-26 CN 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
US-11034694-B2 Substituted isoindolin-1-ones and 2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-1-ones as HPK1 antagonists Nimbus Saturn, Inc. (US) 2021-06-15 US disclosed
US-11028085-B2 Substituted isoindolin-1-ones and 2,3-dihydro-1h-pyrrolo[3,4-c]pyridin-1-ones as hpk1 antagonists Nimbus Saturn, Inc. (US) 2021-06-08 US disclosed
US-11021481-B2 Substituted isoindolin-1-ones and 2,3-dihydro-1h-pyrrolo[3,4-c]pyridin-1-ones as HPK1 antagonists Nimbus Saturn, Inc. (US) 2021-06-01 US disclosed
US-20210087189-A1 SUBSTITUTED ISINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROLO[3,3-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) 2021-03-25 US disclosed
US-20210087190-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) 2021-03-25 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-20210078996-A1 HPK1 ANTAGONISTS AND USES THEREOF CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) 2021-03-18 US 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
WO-2021050964-A1 HPK1 ANTAGONISTS AND USES THEREOF Nimbus Saturn, Inc. (US) 2021-03-18 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 (11 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 GRM4 3775/4885HTT 1147/4885ABL1 2586/4885
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 GRM4 1814/4885HTT 1234/4885ABL1 1878/4885
US-11028085-B2 Substituted isoindolin-1-ones and 2,3-dihydro-1h-pyrrolo[3,4-c]pyridin-1-ones as hpk1 antagonists HIPK1, PDXK, IP6K1 GRM4 1814/4885HTT 1234/4885ABL1 1878/4885
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 GRM4 3775/4885HTT 1147/4885ABL1 2586/4885
US-20210087190-A1 SUBSTITUTED ISOINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROLO[3,4-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS HIPK1, PDXK, IP6K1 GRM4 1814/4885HTT 1234/4885ABL1 1878/4885
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 GRM4 1868/4885HTT 1038/4885ABL1 1863/4885
US-20210078996-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 GRM4 3775/4885HTT 1147/4885ABL1 2586/4885
US-11021481-B2 Substituted isoindolin-1-ones and 2,3-dihydro-1h-pyrrolo[3,4-c]pyridin-1-ones as HPK1 antagonists HIPK1, PDXK, IP6K1 GRM4 1814/4885HTT 1234/4885ABL1 1878/4885
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 GRM4 1868/4885HTT 1038/4885ABL1 1863/4885
US-20210087189-A1 SUBSTITUTED ISINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROLO[3,3-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS HIPK1, PDXK, SIK1 GRM4 1356/4885HTT 970/4885ABL1 2468/4885
US-11034694-B2 Substituted isoindolin-1-ones and 2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-1-ones as HPK1 antagonists HIPK1, IP6K1, PDXK GRM4 2085/4885HTT 1924/4885ABL1 2576/4885

“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.