SCHEMBL23089591

SCHEMBL23089591

CN(C(=O)O)C1CCCN(c2ccc(N)nc2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 3/20 0.42
JAK3 P52333 3/20 0.40
LCK P06239 2/20 0.40
JAK2 O60674 1/20 0.40
MCHR1 Q99705 3/20 0.39
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
MAP4K4 O95819 1/20 0.38
TRPC6 Q9Y210 3/20 0.37
PPARA Q07869 1/20 0.37
PIK3CA P42336 1/20 0.37
MTOR P42345 1/20 0.37
FPR1 P21462 1/20 0.37
FPR2 P25090 1/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
JAK1 P23458 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36

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
SCHEMBL23089588 1.00 BTK (0.42) BTKJAK3LCKJAK2MCHR1
SCHEMBL30630167 0.84 MCHR1 (0.43) MCHR1MAP4K4PIK3CAMTORFPR1
SCHEMBL30630157 0.84 MCHR1 (0.43) MCHR1MAP4K4PIK3CAMTORFPR1
SCHEMBL24747195 0.84 MCHR1 (0.43) MCHR1MAP4K4PIK3CAMTORFPR1
SCHEMBL29112389 0.84 MCHR1 (0.43) MCHR1MAP4K4PIK3CAMTORFPR1
SCHEMBL29891310 0.84 MCHR1 (0.43) MCHR1MAP4K4PIK3CAMTORFPR1
SCHEMBL29112270 0.84 MCHR1 (0.43) MCHR1MAP4K4PIK3CAMTORFPR1
SCHEMBL23104405 0.84 RET (0.45) BTKJAK3LCKJAK2CCNC
SCHEMBL23104497 0.84 RET (0.45) BTKJAK3LCKJAK2CCNC
SCHEMBL29736351 0.84 RET (0.45) BTKJAK3LCKJAK2CCNC

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 13 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
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-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-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-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-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 BTK 3853/4885JAK3 2501/4885LCK 1568/4885
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 BTK 4473/4885JAK3 2010/4885LCK 729/4885
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 BTK 4473/4885JAK3 2010/4885LCK 729/4885
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 BTK 3853/4885JAK3 2501/4885LCK 1568/4885
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 BTK 4473/4885JAK3 2010/4885LCK 729/4885
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 BTK 4526/4885JAK3 1943/4885LCK 722/4885
US-20210078996-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 BTK 3853/4885JAK3 2501/4885LCK 1568/4885
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 BTK 4473/4885JAK3 2010/4885LCK 729/4885
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 BTK 4526/4885JAK3 1943/4885LCK 722/4885
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 BTK 4317/4885JAK3 1342/4885LCK 865/4885
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 BTK 4602/4885JAK3 2694/4885LCK 948/4885

“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.