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Sugi Predict / Compounds / SCHEMBL17129121

SCHEMBL17129121

SCHEMBL17129121

CC(C)c1ccc(COc2ccc(-c3c(-c4ccncc4C#N)nn4c3C(=O)NCC4)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RIPK3 Q9Y572 3/20 0.40
▸ NR1H4 Q96RI1 2/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ KDM1A O60341 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ CYP26A1 O43174 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CMKLR1 Q99788 2/20 0.33
▸ APLNR P35414 1/20 0.33
▸ GPR119 Q8TDV5 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
SCHEMBL17129457 0.89 HRH3 (0.38) RIPK3NR1H4HRH3ALDH1A1KMT2A
SCHEMBL17129594 0.88 RIPK3 (0.36) RIPK3HRH3ALDH1A1KMT2AL3MBTL1
SCHEMBL17128996 0.85 HRH3 (0.39) RIPK3HRH3ALDH1A1KMT2AL3MBTL1
SCHEMBL17129364 0.83 RIPK3 (0.39) RIPK3NR1H4CYP26A1CYP3A4CMKLR1
SCHEMBL17129614 0.83 HRH3 (0.38) RIPK3HRH3ALDH1A1KMT2AL3MBTL1
SCHEMBL17129565 0.82 CIT (0.38) HRH3ALDH1A1KMT2AL3MBTL1LMNA
SCHEMBL17129300 0.81 RIPK3 (0.42) RIPK3CMKLR1
SCHEMBL17129361 0.81 XDH (0.40) RIPK3
SCHEMBL19011332 0.79 HRH3 (0.39) HRH3ALDH1A1KMT2AL3MBTL1LMNA
SCHEMBL17129500 0.79 HRH3 (0.37) HRH3ALDH1A1KMT2AL3MBTL1LMNA

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 RIPK3 1288/4885NR1H4 1464/4885HRH3 228/4885
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 RIPK3 1288/4885NR1H4 1464/4885HRH3 228/4885

“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.