SCHEMBL9894017

SCHEMBL9894017

CC(C)(C)OC(=O)N1CCC(Oc2cc(C=O)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.49
GPR119 Q8TDV5 10/20 0.48
HRH3 Q9Y5N1 1/20 0.44
PDE4D Q08499 2/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
CHEK2 O96017 1/20 0.42
P2RX3 P56373 1/20 0.41
P2RX2 Q9UBL9 1/20 0.41
USP30 Q70CQ3 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
SCHEMBL6122506 0.87 GPR119 (0.53) GPR119HRH3PDE4DPDE4APDE4B
SCHEMBL6121678 0.85 GPR119 (0.50) GPR119HRH3PDE4DPDE4APDE4B
SCHEMBL450221 0.85 STS (0.52) STSGPR119HRH3PDE4DPDE4A
SCHEMBL427068 0.85 STS (0.52) STSGPR119HRH3PDE4DPDE4A
SCHEMBL6121943 0.85 EPHX2 (0.44)
SCHEMBL30272599 0.84 STS (0.51) STSGPR119HRH3PDE4DPDE4A
SCHEMBL21722812 0.84 STS (0.51) STSGPR119HRH3PDE4DPDE4A
SCHEMBL6121545 0.82 STS (0.53) STSGPR119PDE4DPDE4APDE4B
SCHEMBL6121496 0.82 MEN1 (0.39) HRH3
SCHEMBL6036543 0.81 EPHX2 (0.57) STSGPR119HRH3USP30

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10640506-B2 Cyclobutyl substituted pyrrolopyridine and pyrrolopyrimidines derivatives as JAK inhibitors INCYTE HOLDINGS CORPORATION (US) 2020-05-05 US disclosed
US-20190135813-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINES DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION 2019-05-09 US disclosed
US-20150087632-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINES DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION (US) 2015-03-26 US disclosed
US-8933085-B2 Cyclobutyl substituted pyrrolopyridine and pyrrolopyrimidine derivatives as JAK inhibitors INCYTE CORPORATION (US) 2015-01-13 US disclosed
US-20120149681-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINE DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION 2012-06-14 US 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 (4 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-10640506-B2 Cyclobutyl substituted pyrrolopyridine and pyrrolopyrimidines derivatives as JAK inhibitors JAK2, JAK1, JAK3 STS 3526/4885GPR119 3392/4885HRH3 2341/4885
US-20120149681-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINE DERIVATIVES AS JAK INHIBITORS JAK1, JAK2, JAK3 STS 3688/4885GPR119 3176/4885HRH3 2019/4885
US-20150087632-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINES DERIVATIVES AS JAK INHIBITORS JAK2, JAK1, JAK3 STS 3526/4885GPR119 3392/4885HRH3 2341/4885
US-20190135813-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINES DERIVATIVES AS JAK INHIBITORS JAK2, JAK1, JAK3 STS 3526/4885GPR119 3392/4885HRH3 2341/4885

“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.