Sugi Predict

Sugi Predict / Compounds / SCHEMBL17129556

SCHEMBL17129556

SCHEMBL17129556

COc1cc(C(=O)Cc2ccncc2)ncc1OCc1ccc(C(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 2/20 0.43
▸ CACNA1H O95180 1/20 0.41
▸ CSF1R P07333 1/20 0.41
▸ PDK2 Q15119 1/20 0.39
▸ TRPC6 Q9Y210 3/20 0.39
▸ GCGR P47871 3/20 0.39
▸ RXRA P19793 1/20 0.39
▸ RXRB P28702 1/20 0.39
▸ MRGPRX4 Q96LA9 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ RORC P51449 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ RAB9A P51151 1/20 0.37

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
SCHEMBL17129495 0.82 ALDH1A1 (0.46) CACNA1HCSF1RPDK2TRPC6GCGR
SCHEMBL17129018 0.74 RXRA (0.44) PLK1PDK2GCGRRXRARXRB
SCHEMBL17129401 0.74 RXRA (0.64) RXRARXRBMRGPRX4ALDH1A1MEN1
SCHEMBL17129097 0.70 RXRA (0.51) PDK2GCGRRXRARXRBMRGPRX4
SCHEMBL6280928 0.69 USP5 (0.51) RXRARXRBALDH1A1MEN1KMT2A
SCHEMBL21045862 0.69 TRPC6 (0.55) PLK1TRPC6RXRAMRGPRX4MEN1
SCHEMBL19386758 0.69 ELANE (0.41) ALDH1A1POLBRAB9A
SCHEMBL21045916 0.69 TRPC6 (0.56) TRPC6RXRAMRGPRX4
SCHEMBL21045835 0.68 TRPC6 (0.55) CSF1RTRPC6RXRAALDH1A1MEN1
SCHEMBL17129585 0.68 MAPT (0.67) GCGRRXRARXRBMRGPRX4ALDH1A1

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 PLK1 1665/4885CACNA1H 1957/4885CSF1R 614/4885
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 PLK1 1665/4885CACNA1H 1957/4885CSF1R 614/4885

“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.