Sugi Predict

Sugi Predict / Compounds / SCHEMBL17129012

SCHEMBL17129012

SCHEMBL17129012

CC(C)c1ccc(COc2ccc(B3OC(C)(C)C(C)(C)O3)cc2Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 1/20 0.49
▸ PDK2 Q15119 1/20 0.46
▸ ESR2 Q92731 1/20 0.41
▸ LPL P06858 5/20 0.40
▸ LIPG Q9Y5X9 5/20 0.40
▸ DGAT1 O75907 1/20 0.38
▸ EGFR P00533 1/20 0.37
▸ IDO1 P14902 2/20 0.37
▸ MRGPRX4 Q96LA9 2/20 0.37
▸ CYP19A1 P11511 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ RXRA P19793 2/20 0.36
▸ RXRB P28702 2/20 0.36
▸ RXRG P48443 1/20 0.36
▸ F11 P03951 1/20 0.36

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
SCHEMBL17129456 0.90 ESR2 (0.41) AAK1PDK2ESR2LPLLIPG
SCHEMBL17129528 0.87 ESR2 (0.41) AAK1PDK2ESR2LPLLIPG
SCHEMBL17129014 0.87 EGFR (0.47) AAK1ESR2LPLLIPGDGAT1
SCHEMBL28738862 0.86 DGAT1 (0.51) AAK1LPLLIPGDGAT1EGFR
SCHEMBL17129073 0.84 ESR2 (0.46) AAK1ESR2LPLLIPGDGAT1
SCHEMBL17128914 0.81 DGAT1 (0.53) AAK1ESR2LPLLIPGDGAT1
SCHEMBL21234415 0.81 DGAT1 (0.53) AAK1ESR2LPLLIPGDGAT1
SCHEMBL17129250 0.80 GCGR (0.41) ESR2LPLLIPGDGAT1IDO1
SCHEMBL25228017 0.79 EGFR (0.47) AAK1EGFR
SCHEMBL29508044 0.79 EGFR (0.47) AAK1EGFR

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 AAK1 1311/4885PDK2 201/4885ESR2 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 AAK1 1311/4885PDK2 201/4885ESR2 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.