Sugi Predict

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SCHEMBL17129482

SCHEMBL17129482

O=C1NCCn2nc(Br)c(-c3ccc(O)cc3)c21

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 1/20 0.38
▸ ALOX5 P09917 3/20 0.33
▸ ALOX5AP P20292 3/20 0.33
▸ FEN1 P39748 3/20 0.33
▸ MAPKAPK2 P49137 1/20 0.32
▸ TGFBR1 P36897 2/20 0.32
▸ THRB P10828 1/20 0.32
▸ MAPK14 Q16539 1/20 0.32
▸ RIPK3 Q9Y572 2/20 0.31
▸ GRIA1 P42261 1/20 0.31
▸ PARP1 P09874 3/20 0.31
▸ MAT2A P31153 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL24554284 0.86 RIPK3 (0.40) CDC7RIPK3PARP1
SCHEMBL17129612 0.77 CDC7 (0.38) CDC7TGFBR1THRBMAPK14RIPK3
SCHEMBL17129599 0.75 HRH3 (0.41) KMT2A
SCHEMBL31729148 0.70 CDC7 (0.36) CDC7
SCHEMBL30964225 0.70 CDC7 (0.36) CDC7ALOX5ALOX5APFEN1PARP1
SCHEMBL26696027 0.69 CDC7 (0.43) CDC7ALOX5ALOX5APFEN1PARP1
SCHEMBL17129502 0.67 CDC7 (0.52) CDC7MAPKAPK2RIPK3
SCHEMBL31729431 0.67 CDC7 (0.49) CDC7TGFBR1MAPK14RIPK3PARP1
SCHEMBL4716033 0.64 CDC7 (0.66) CDC7MAPKAPK2
SCHEMBL31430311 0.64 CDC7 (0.43) CDC7PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10280170-B2 Substituted 4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrazine derivatives and 5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine derivatives as Ros1 inhibitors JANSSEN PHARMACEUTICA NV (BE) 2019-05-07 — — US disclosed
US-20170174690-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-PYRAZOLO[1,5-a]PYRAZINE DERIVATIVES AND 5,6,7,8-TETRAHYDRO-4H-PYRAZOLO[1,5-a][1,4]DIAZEPINE DERIVATIVES AS ROS1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2017-06-22 — — US disclosed
US-20170174690-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-PYRAZOLO[1,5-a]PYRAZINE DERIVATIVES AND 5,6,7,8-TETRAHYDRO-4H-PYRAZOLO[1,5-a][1,4]DIAZEPINE DERIVATIVES AS ROS1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2017-06-22 — — US disclosed
WO-2015144799-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-PYRAZOLO[1,5-a]PYRAZINE DERIVATIVES AND 5,6,7,8-TETRAHYDRO-4H-PYRAZOLO[1,5-a][1,4]DIAZEPINE DERIVATIVES AS ROS1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-10-01 — — 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-10280170-B2 Substituted 4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrazine derivatives and 5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine derivatives as Ros1 inhibitors ROS1, NOX1, NOX5 CDC7 2915/4885ALOX5 858/4885ALOX5AP 2450/4885
US-20170174690-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-PYRAZOLO[1,5-a]PYRAZINE DERIVATIVES AND 5,6,7,8-TETRAHYDRO-4H-PYRAZOLO[1,5-a][1,4]DIAZEPINE DERIVATIVES AS ROS1 INHIBITORS ROS1, NOX1, NOX5 CDC7 2915/4885ALOX5 858/4885ALOX5AP 2450/4885

“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.