SCHEMBL17129362

SCHEMBL17129362

COc1cc(B2OC(C)(C)C(C)(C)O2)cc(OC)c1OCc1ccc(C(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GCGR P47871 14/20 0.44
ADCYAP1R1 P41586 1/20 0.41
ESR2 Q92731 1/20 0.39
COL1A1 P02452 1/20 0.38
EGFR P00533 1/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
PREP P48147 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
SCHEMBL17129014 0.87 EGFR (0.47) GCGRESR2COL1A1EGFR
SCHEMBL17129250 0.85 GCGR (0.41) GCGRESR2ACHE
SCHEMBL17129420 0.84 ESR2 (0.42) GCGRESR2ACHE
SCHEMBL17129053 0.84 AAK1 (0.41) GCGRESR2EGFR
SCHEMBL17129456 0.81 ESR2 (0.41) GCGRESR2EGFR
SCHEMBL2649059 0.79 GCGR (0.50) GCGRADCYAP1R1COL1A1
SCHEMBL17129015 0.79 MAOA (0.42) COL1A1ACHE
SCHEMBL17128914 0.78 DGAT1 (0.53) ESR2
SCHEMBL21234415 0.78 DGAT1 (0.53) ESR2
SCHEMBL17129012 0.78 AAK1 (0.49) ESR2EGFR

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 GCGR 2216/4885ADCYAP1R1 3230/4885ESR2 1900/4885
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 GCGR 2216/4885ADCYAP1R1 3230/4885ESR2 1900/4885

“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.