SCHEMBL23106909

SCHEMBL23106909

CC(C)c1cc(CN(C)C)c(C2(O)CCOCC2)cn1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 1/20 0.39
HTR1D P28221 1/20 0.32
OGA O60502 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
SCHEMBL23089194 0.82 MAP4K1 (0.42) MAP4K1HTR1D
SCHEMBL29736584 0.82 MAP4K1 (0.42) MAP4K1HTR1D
SCHEMBL23089452 0.77 MAP4K1 (0.44) MAP4K1
SCHEMBL23106914 0.76 HTR1D (0.35) HTR1D
SCHEMBL28876579 0.75 MAP4K1 (0.38) MAP4K1
SCHEMBL23104048 0.72 MAP4K1 (0.41) MAP4K1
SCHEMBL29736807 0.72 MAP4K1 (0.41) MAP4K1
SCHEMBL23107014 0.69 HTR1D (0.32) HTR1D
SCHEMBL23109046 0.69 HTR1D (0.32) HTR1D
SCHEMBL23102928 0.69 HTR1D (0.32) HTR1D

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 6 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-20230117631-A1 HPK1 ANTAGONISTS AND USES THEREOF Nimbus Saturn, Inc. 2023-04-20 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-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 (5 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-20230117631-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 MAP4K1 99/4885HTR1D 3451/4885OGA 2600/4885
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 MAP4K1 61/4885HTR1D 515/4885OGA 4034/4885
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 MAP4K1 99/4885HTR1D 3451/4885OGA 2600/4885
US-20210078996-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 MAP4K1 99/4885HTR1D 3451/4885OGA 2600/4885
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 MAP4K1 61/4885HTR1D 515/4885OGA 4034/4885

“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.