SCHEMBL17129177

SCHEMBL17129177

CC(C)(C)OC(=O)N1CCn2nc(-c3ccncc3)c(Br)c2C1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CSNK1D P48730 8/20 0.51
▸ CSNK1E P49674 8/20 0.51
▸ GPR119 Q8TDV5 5/20 0.43
▸ USP30 Q70CQ3 1/20 0.41
▸ CKS1B P61024 2/20 0.40
▸ SKP1 P63208 2/20 0.40
▸ SKP2 Q13309 2/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ NR1H2 P55055 1/20 0.38
▸ POLB P06746 1/20 0.38

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
SCHEMBL30623035 0.90 CSNK1D (0.43) CSNK1DCSNK1EGPR119CKS1BSKP1
SCHEMBL30623021 0.90 CSNK1E (0.44) CSNK1DCSNK1EGPR119CKS1BSKP1
SCHEMBL17382842 0.88 CSNK1E (0.52) CSNK1DCSNK1ECKS1BSKP1SKP2
SCHEMBL26645726 0.88 MEN1 (0.46) CSNK1DCSNK1ECKS1BSKP1SKP2
SCHEMBL26645466 0.85 CSNK1D (0.49) CSNK1DCSNK1EGPR119USP30CKS1B
SCHEMBL26645301 0.84 CSNK1D (0.44) CSNK1DCSNK1EGPR119USP30CKS1B
SCHEMBL26645250 0.83 CSNK1D (0.48) CSNK1DCSNK1EGPR119USP30CKS1B
SCHEMBL26645904 0.82 CSNK1E (0.55) CSNK1DCSNK1E
SCHEMBL26645681 0.82 CSNK1E (0.48) CSNK1DCSNK1EGPR119CKS1BSKP1
SCHEMBL26645019 0.82 CSNK1D (0.47) CSNK1DCSNK1EGPR119CKS1BSKP1

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 3 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
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 CSNK1D 1280/4885CSNK1E 1301/4885GPR119 2103/4885
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 CSNK1D 1280/4885CSNK1E 1301/4885GPR119 2103/4885

“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.

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