SCHEMBL23108847

SCHEMBL23108847

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

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ KAT2B Q92831 2/20 0.34
▸ CCR6 P51684 2/20 0.32
▸ PLA2G1B P04054 1/20 0.32
▸ ATG4B Q9Y4P1 1/20 0.32
▸ OGA O60502 4/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ DPP4 P27487 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ PROKR1 Q8TCW9 1/20 0.31
▸ CXCR3 P49682 1/20 0.31
▸ SMPD3 Q9NY59 2/20 0.31

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
SCHEMBL23102960 1.00 MCHR1 (0.34) MCHR1KDM4EKAT2BCCR6PLA2G1B
SCHEMBL23102979 1.00 MCHR1 (0.34) MCHR1KDM4EKAT2BCCR6PLA2G1B
SCHEMBL23106974 1.00 MCHR1 (0.34) MCHR1KDM4EKAT2BCCR6PLA2G1B
SCHEMBL23102948 1.00 MCHR1 (0.34) MCHR1KDM4EKAT2BCCR6PLA2G1B
SCHEMBL23102959 1.00 MCHR1 (0.34) MCHR1KDM4EKAT2BCCR6PLA2G1B
SCHEMBL23103248 1.00 MCHR1 (0.34) MCHR1KDM4EKAT2BCCR6PLA2G1B
SCHEMBL25147048 0.90 MCHR1 (0.33) MCHR1KDM4EKAT2BOGAALDH1A1
SCHEMBL23133602 0.88 MCHR1 (0.33) MCHR1KDM4EKAT2BOGACXCR3
SCHEMBL24859594 0.85 KMT2A (0.39) MCHR1KDM4EKAT2BALDH1A1KCNH2
SCHEMBL23107567 0.85 KMT2A (0.39) MCHR1KDM4EKAT2BALDH1A1KCNH2

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 11 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-11548890-B1 HPK1 antagonists and uses thereof Nimbus Saturn, Inc. (US) 2023-01-10 — — US 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 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 MCHR1 1383/4885KDM4E 3143/4885KAT2B 3660/4885
US-20230117631-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 MCHR1 1383/4885KDM4E 3143/4885KAT2B 3660/4885
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 MCHR1 1190/4885KDM4E 3589/4885KAT2B 4774/4885
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 MCHR1 1383/4885KDM4E 3143/4885KAT2B 3660/4885
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 MCHR1 1190/4885KDM4E 3589/4885KAT2B 4774/4885
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 MCHR1 1229/4885KDM4E 3754/4885KAT2B 4763/4885
US-20210078996-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 MCHR1 1383/4885KDM4E 3143/4885KAT2B 3660/4885
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 MCHR1 1190/4885KDM4E 3589/4885KAT2B 4774/4885
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 MCHR1 1229/4885KDM4E 3754/4885KAT2B 4763/4885
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 MCHR1 978/4885KDM4E 3964/4885KAT2B 4832/4885

“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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