SCHEMBL20502452

SCHEMBL20502452

O=C1NCCCN1c1cccc(Br)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.55
PIM1 P11309 1/20 0.45
PIM3 Q86V86 1/20 0.45
PIM2 Q9P1W9 1/20 0.45
MAP4K1 Q92918 1/20 0.43
MAP3K5 Q99683 1/20 0.41
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40
PARP1 P09874 3/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
CRBN Q96SW2 1/20 0.35
CRHR1 P34998 1/20 0.34
MAPT P10636 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
SCHEMBL30087931 1.00 ALOX5 (0.55) ALOX5PIM1PIM3PIM2MAP4K1
SCHEMBL2193369 0.90 ALOX5 (0.61) ALOX5PIM1PIM3PIM2MAP4K1
SCHEMBL30712348 0.90 ALOX5 (0.61) ALOX5PIM1PIM3PIM2MAP4K1
SCHEMBL19994372 0.78 PARP1 (0.48) ALOX5PIM1PIM3PIM2MAP4K1
SCHEMBL29464219 0.78 PARP1 (0.48) ALOX5PIM1PIM3PIM2MAP4K1
SCHEMBL31334775 0.76 PARP1 (0.47) ALOX5PIM1PIM3PIM2MAP4K1
SCHEMBL19994341 0.76 PARP1 (0.47) ALOX5PIM1PIM3PIM2MAP4K1
SCHEMBL31747300 0.75 CRBN (0.59) ALOX5GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL24265517 0.74 ALOX5 (0.50) ALOX5PIM1PIM3PIM2MAP3K5
SCHEMBL31334558 0.74 ALOX5 (0.43) ALOX5PIM1GRIN2DGRIN3BGRIN1

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-11944606-B2 Azaindoles as inhibitors of HPK1 GENENTECH, INC. (US) 2024-04-02 US disclosed
EP-3596075-B1 AZAINDOLES AS INHIBITORS OF HPK1 HOFFMANN LA ROCHE (CH) 2023-10-11 EP disclosed
EP-3596075-B1 AZAINDOLES AS INHIBITORS OF HPK1 HOFFMANN LA ROCHE (CH) 2023-10-11 EP disclosed
CN-110402248-B Azaindoles as HPK1 inhibitors 豪夫迈·罗氏有限公司 2023-01-06 CN disclosed
US-20210299110-A1 AZAINDOLES AS INHIBITORS OF HPK1 GENENTECH, INC. (US) 2021-09-30 US disclosed
US-20210299110-A1 AZAINDOLES AS INHIBITORS OF HPK1 GENENTECH, INC. (US) 2021-09-30 US disclosed
CN-113015526-A Spirocyclic 2, 3-dihydro-7-azaindole compounds and uses thereof 豪夫迈·罗氏有限公司 2021-06-22 CN disclosed
US-10952995-B2 Azaindoles as inhibitors of HPK1 GENENTECH, INC. (US) 2021-03-23 US disclosed
US-10952995-B2 Azaindoles as inhibitors of HPK1 GENENTECH, INC. (US) 2021-03-23 US disclosed
WO-2020061377-A1 SPIROCYCLIC 2,3-DIHYDRO-7-AZAINDOLE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2020-03-26 WO disclosed
WO-2018167147-A1 AZAINDOLES AS INHIBITORS OF HPK1 F. HOFFMANN-LA ROCHE AG (CH) 2018-09-20 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 (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-10952995-B2 Azaindoles as inhibitors of HPK1 HIPK1, HIPK2, PPIP5K2 ALOX5 2558/4885PIM1 3102/4885PIM3 2938/4885
US-11944606-B2 Azaindoles as inhibitors of HPK1 HIPK1, HIPK2, PPIP5K2 ALOX5 2558/4885PIM1 3102/4885PIM3 2938/4885
US-20210299110-A1 AZAINDOLES AS INHIBITORS OF HPK1 HIPK1, HIPK2, PPIP5K2 ALOX5 2558/4885PIM1 3102/4885PIM3 2938/4885

“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.