SCHEMBL17129097

SCHEMBL17129097

CC(C)c1ccc(COc2cnc(C(=O)O)cc2O)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.51
RXRB P28702 1/20 0.51
BCL2 P10415 1/20 0.44
MDM2 Q00987 1/20 0.44
MCL1 Q07820 1/20 0.44
MRGPRX4 Q96LA9 3/20 0.44
EGLN1 Q9GZT9 1/20 0.42
PDK2 Q15119 1/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
P4HTM Q9NXG6 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
GCGR P47871 6/20 0.40
IDO1 P14902 1/20 0.39
ADCYAP1R1 P41586 1/20 0.39

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 0.75 ALDH1A1 (0.46) RXRARXRBMRGPRX4PDK2RAB9A
SCHEMBL8885039 0.74 RXRA (0.58) RXRARXRBMRGPRX4EGLN1PDK2
SCHEMBL9012856 0.74 LMNA (0.57) KDM4EP4HTM
SCHEMBL10532890 0.72 KDM4E (0.55) RXRAMRGPRX4KDM4ENPC1POLB
SCHEMBL2527963 0.72 P4HTM (0.60) MCL1KDM4EP4HTM
SCHEMBL128622 0.71 RXRA (0.57) RXRARXRBMRGPRX4KDM4E
SCHEMBL15350118 0.71 FFAR4 (0.51) RXRARXRBMRGPRX4POLBP4HTM
SCHEMBL8881868 0.71 RXRA (0.53) RXRARXRBMRGPRX4KDM4ENPC1
SCHEMBL7343126 0.71 PTGS2 (0.46) KDM4EP4HTM
Hydrochloric Acid SCHEMBL10666309 0.71 P4HTM (0.59) MCL1KDM4EP4HTM

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 RXRA 2981/4885RXRB 3067/4885BCL2 1814/4885
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 RXRA 2981/4885RXRB 3067/4885BCL2 1814/4885

“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.