SCHEMBL17129495

SCHEMBL17129495

COC(=O)c1cc(OC)c(OCc2ccc(C(C)C)cc2)cn1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
MAPT P10636 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GCGR P47871 6/20 0.44
PDK2 Q15119 1/20 0.43
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
CACNA1H O95180 1/20 0.42
TRPC6 Q9Y210 3/20 0.42
PPARG P37231 1/20 0.42
RAB9A P51151 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
CSF1R P07333 1/20 0.42
ADCYAP1R1 P41586 1/20 0.41

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
SCHEMBL30439720 0.85 TRPC6 (0.55) ALDH1A1MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL21045835 0.85 TRPC6 (0.55) ALDH1A1MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL5806655 0.85 TRPC6 (0.53) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL17129556 0.82 PLK1 (0.43) ALDH1A1GCGRPDK2RXRARXRB
SCHEMBL17129585 0.80 MAPT (0.67) ALDH1A1MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL21045681 0.78 TRPC6 (0.51) MAPTSMN1; SMN2TRPC6
SCHEMBL30439795 0.78 TRPC6 (0.51) MAPTSMN1; SMN2TRPC6
SCHEMBL21045659 0.76 TRPC6 (0.48) ALDH1A1MAPTCYP1A2CYP3A4CYP2C19
SCHEMBL17129097 0.75 RXRA (0.51) GCGRPDK2RXRARXRBMRGPRX4
SCHEMBL21045784 0.75 TRPC6 (0.55) ALDH1A1MAPTTRPC6

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 ALDH1A1 28/4885MAPT 1425/4885CYP1A2 75/4885
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 ALDH1A1 28/4885MAPT 1425/4885CYP1A2 75/4885

“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.