SCHEMBL23103154

SCHEMBL23103154

CC(C)c1ccc(N2CCC[C@H]([C@H](C)O)C2)cn1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PRKDC P78527 1/20 0.35
▸ SYK P43405 4/20 0.35
▸ CHRNB2 P17787 3/20 0.35
▸ CHRNA4 P43681 3/20 0.35
▸ HRH3 Q9Y5N1 3/20 0.34
▸ MGLL Q99685 1/20 0.34
▸ ACKR3 P25106 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ DEGS1 O15121 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ ACACB O00763 1/20 0.33
▸ HRH4 Q9H3N8 1/20 0.33

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
SCHEMBL23103153 1.00 PRKDC (0.35) PRKDCSYKCHRNB2CHRNA4HRH3
SCHEMBL23107214 1.00 PRKDC (0.35) PRKDCSYKCHRNB2CHRNA4HRH3
SCHEMBL23103159 1.00 PRKDC (0.35) PRKDCSYKCHRNB2CHRNA4HRH3
SCHEMBL23103163 1.00 PRKDC (0.35) PRKDCSYKCHRNB2CHRNA4HRH3
SCHEMBL23467565 0.96 ACKR3 (0.38) SYKCHRNB2CHRNA4HRH3MGLL
SCHEMBL23103158 0.87 ALDH1A1 (0.39) PRKDCSYKCHRNB2CHRNA4HRH3
SCHEMBL23103862 0.86 HRH3 (0.40) SYKHRH3MAPTACACB
SCHEMBL23103165 0.86 HRH3 (0.40) SYKHRH3MAPTACACB
SCHEMBL23108854 0.86 HRH3 (0.40) SYKHRH3MAPTACACB
SCHEMBL23707108 0.85 NPC1 (0.40) SYKCHRNB2CHRNA4HRH3MGLL

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 9 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-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF SCHRÖDINGER, INC. 2024-01-25 — — US disclosed
US-20230117631-A1 HPK1 ANTAGONISTS AND USES THEREOF Nimbus Saturn, Inc. 2023-04-20 — — 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-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
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 (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-20210078998-A1 SUBSTITUTED ISOINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROLO[3,4-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS HIPK1, PDXK, IP6K1 PRKDC 286/4885SYK 4455/4885CHRNB2 1400/4885
US-20230117631-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 PRKDC 152/4885SYK 4559/4885CHRNB2 3697/4885
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 PRKDC 152/4885SYK 4559/4885CHRNB2 3697/4885
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 PRKDC 286/4885SYK 4455/4885CHRNB2 1400/4885
US-20210078996-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 PRKDC 152/4885SYK 4559/4885CHRNB2 3697/4885
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 PRKDC 286/4885SYK 4455/4885CHRNB2 1400/4885
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 PRKDC 351/4885SYK 4094/4885CHRNB2 1597/4885

“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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