SCHEMBL17847604

SCHEMBL17847604

O=C1NCCc2[nH]cc(-c3cccnc3)c21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKN2 Q16513 2/20 0.56
PARP10 Q53GL7 1/20 0.53
PARP11 Q9NR21 1/20 0.53
MAPKAPK2 P49137 3/20 0.50
MAPK1 P28482 3/20 0.47
PARP1 P09874 1/20 0.45
GSK3B P49841 2/20 0.44
DYRK1A Q13627 2/20 0.44
NISCH Q9Y2I1 1/20 0.41
TDO2 P48775 2/20 0.41
CDC7 O00311 3/20 0.40
CYP19A1 P11511 2/20 0.40
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
BTK Q06187 1/20 0.40
RIPK3 Q9Y572 1/20 0.40
AURKA O14965 1/20 0.40
TTK P33981 1/20 0.40
AURKB Q96GD4 1/20 0.40
INCENP Q9NQS7 1/20 0.40

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
SCHEMBL25207231 0.84 PARP10 (0.51) PKN2PARP10PARP11MAPKAPK2PARP1
SCHEMBL25203005 0.76 BUB1 (0.42) PARP10PARP11MAPK1GSK3BDYRK1A
SCHEMBL17847610 0.75 MAPKAPK2 (0.45) PARP10PARP11MAPKAPK2PARP1RIPK3
SCHEMBL17847617 0.75 PKN2 (0.56) PKN2PARP10PARP11MAPKAPK2MAPK1
SCHEMBL6224186 0.72 PKN2 (1.00) PKN2MAPKAPK2MAPK1GSK3BDYRK1A
SCHEMBL10154867 0.69 CDC7 (0.48) PKN2PARP10PARP11MAPKAPK2PARP1
SCHEMBL27796214 0.69 PARP1 (0.49) PKN2PARP10PARP11MAPK1PARP1
SCHEMBL29892591 0.68 PARP10 (0.71) PKN2PARP10PARP11MAPKAPK2CYP19A1
SCHEMBL16653142 0.67 ALDH1A1 (0.64) MAPK1GSK3BDYRK1ATDO2BTK
SCHEMBL21563927 0.67 DYRK1A (0.51) PARP10PARP11MAPK1GSK3BDYRK1A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10301306-B2 Substituted dihydro-1H-pyrrolo[3,2-c]pyridin-4(5H)-ones as RIPK3 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-05-28 US disclosed
US-10301306-B2 Substituted dihydro-1H-pyrrolo[3,2-c]pyridin-4(5H)-ones as RIPK3 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-05-28 US disclosed
US-20170362219-A1 SUBSTITUTED DIHYDRO-1H-PYRROLO[3,2-C]PYRIDIN-4(5H)-ONES AS RIPK3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-12-21 US disclosed
US-20170362219-A1 SUBSTITUTED DIHYDRO-1H-PYRROLO[3,2-C]PYRIDIN-4(5H)-ONES AS RIPK3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-12-21 US disclosed
US-20170362219-A1 SUBSTITUTED DIHYDRO-1H-PYRROLO[3,2-C]PYRIDIN-4(5H)-ONES AS RIPK3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-12-21 US disclosed
WO-2016100166-A1 SUBSTITUTED DIHYDRO-1H-PYRROLO[3,2-c]PYRIDIN-4(5H)-ONES AS RIPK3 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-06-23 WO disclosed
WO-2016100166-A1 SUBSTITUTED DIHYDRO-1H-PYRROLO[3,2-c]PYRIDIN-4(5H)-ONES AS RIPK3 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-06-23 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 (2 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-20170362219-A1 SUBSTITUTED DIHYDRO-1H-PYRROLO[3,2-C]PYRIDIN-4(5H)-ONES AS RIPK3 INHIBITORS RIPK3, RIPK1, RIPK4 PKN2 377/4885PARP10 332/4885PARP11 318/4885
US-10301306-B2 Substituted dihydro-1H-pyrrolo[3,2-c]pyridin-4(5H)-ones as RIPK3 inhibitors RIPK3, RIPK1, RIPK4 PKN2 377/4885PARP10 332/4885PARP11 318/4885

“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.