SCHEMBL17847617

SCHEMBL17847617

O=C1NCCc2[nH]c(Br)c(-c3cccnc3)c21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKN2 Q16513 2/20 0.56
MAPKAPK2 P49137 3/20 0.50
PARP10 Q53GL7 1/20 0.47
PARP11 Q9NR21 1/20 0.47
CDC7 O00311 3/20 0.46
PARP1 P09874 1/20 0.45
BTK Q06187 1/20 0.43
BUB1 O43683 3/20 0.43
RIPK3 Q9Y572 1/20 0.42
TYMP P19971 1/20 0.42
CYP19A1 P11511 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
ALPL P05186 1/20 0.39
PLK4 O00444 1/20 0.39
MAPK13 O15264 1/20 0.39
DAPK3 O43293 1/20 0.39
DYRK3 O43781 1/20 0.39
ROCK2 O75116 1/20 0.39
RPS6KA5 O75582 1/20 0.39

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
SCHEMBL25209536 0.84 TYMP (0.47) PKN2MAPKAPK2PARP10PARP11CDC7
SCHEMBL25202680 0.76 BUB1 (0.47) BTKBUB1CYP11B1CYP11B2ALPL
SCHEMBL17847644 0.75 BUB1 (0.49) MAPKAPK2PARP10CDC7PARP1BUB1
SCHEMBL17847604 0.75 PKN2 (0.56) PKN2MAPKAPK2PARP10PARP11CDC7
SCHEMBL6224186 0.72 PKN2 (1.00) PKN2MAPKAPK2CDC7PLK4MAPK13
SCHEMBL30444069 0.69 BUB1 (0.67) PKN2MAPKAPK2CDC7BUB1RIPK3
SCHEMBL10154869 0.69 KDR (0.56) PKN2MAPKAPK2CYP11B1CYP11B2DAPK3
SCHEMBL10154867 0.69 CDC7 (0.48) PKN2MAPKAPK2PARP10PARP11CDC7
SCHEMBL17847562 0.69 CDC7 (0.70) PKN2MAPKAPK2PARP10PARP11CDC7
SCHEMBL20740877 0.67 CYP2A6 (0.67) CYP11B1CYP11B2MKNK1MKNK2METAP2

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-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 377/4885MAPKAPK2 99/4885PARP10 332/4885
US-10301306-B2 Substituted dihydro-1H-pyrrolo[3,2-c]pyridin-4(5H)-ones as RIPK3 inhibitors RIPK3, RIPK1, RIPK4 PKN2 377/4885MAPKAPK2 99/4885PARP10 332/4885

“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.