SCHEMBL23133623

SCHEMBL23133623

CC(C)c1cnc2cn(C)ncc1-2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 3/20 0.33
▸ ALOX5AP P20292 1/20 0.33
▸ FEN1 P39748 1/20 0.33
▸ FYN P06241 4/20 0.32
▸ CHEK1 O14757 1/20 0.32
▸ AXL P30530 1/20 0.32
▸ KDM5B Q9UGL1 1/20 0.31
▸ JAK1 P23458 1/20 0.30
▸ JAK3 P52333 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ AURKA O14965 1/20 0.30
▸ AURKB Q96GD4 1/20 0.30
▸ INCENP Q9NQS7 1/20 0.30
▸ TPX2 Q9ULW0 1/20 0.30
▸ IRAK1 P51617 1/20 0.30
▸ IRAK4 Q9NWZ3 1/20 0.30
▸ FGFR1 P11362 1/20 0.30
▸ FGFR2 P21802 1/20 0.30
▸ FGFR3 P22607 1/20 0.30
▸ MAPT P10636 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
SCHEMBL23103358 0.85 ALOX5AP (0.35) PIM1ALOX5APFEN1FYNCHEK1
SCHEMBL23107521 0.76 PIM1 (0.37) PIM1ALOX5APFEN1FYNCHEK1
SCHEMBL23089284 0.74 PIM1 (0.34) PIM1ALOX5APFEN1FYNCHEK1
SCHEMBL23425884 0.72 MAP4K1 (0.36) PIM1FYNCHEK1KDM5BMAPK1
SCHEMBL23114543 0.72 MAOA (0.41) KDM5B
SCHEMBL22962905 0.67 PIM1 (0.45) PIM1ALOX5APFEN1FYNCHEK1
SCHEMBL179280 0.66 — —
SCHEMBL10094326 0.66 BRD4 (0.50) ALOX5APFEN1AXLIRAK1IRAK4
SCHEMBL13466382 0.65 CYP11B1 (0.50) PIM1ALOX5APFYNCHEK1MAPK1
SCHEMBL23107321 0.64 PIM1 (0.37) PIM1ALOX5APFEN1FYNCHEK1

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 3 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-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-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

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

For each of this compound's patents that has machine-readable text (3 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-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 PIM1 2034/4885ALOX5AP 3256/4885FEN1 2204/4885
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 PIM1 1896/4885ALOX5AP 3223/4885FEN1 1616/4885
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 PIM1 1445/4885ALOX5AP 2738/4885FEN1 2299/4885

“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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