SCHEMBL25856764

SCHEMBL25856764

CC(C)Cc1ccc(C2=NC(c3ccc4c(c3)CC(=O)N4)=CC2)cc1C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 3/20 0.41
▸ PDE4A P27815 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ PDE4C Q08493 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ PDE3B Q13370 1/20 0.38
▸ PDE3A Q14432 1/20 0.38
▸ BMPR1B O00238 1/20 0.37
▸ BMPR1A P36894 1/20 0.37
▸ TGFBR1 P36897 1/20 0.37
▸ ACVRL1 P37023 1/20 0.37
▸ ACVR1 Q04771 1/20 0.37
▸ GRIA1 P42261 3/20 0.36
▸ CACNG8 Q8WXS5 2/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP11B1 P15538 1/20 0.35
▸ CYP11B2 P19099 1/20 0.35
▸ CTSC P53634 3/20 0.35
▸ CTSK P43235 2/20 0.35
▸ TBK1 Q9UHD2 1/20 0.35

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
SCHEMBL25856899 0.84 PGR (0.39) PGRPDE4APDE4BPDE4CPDE4D
SCHEMBL25856880 0.68 PGR (0.40) PGRPDE4APDE4BPDE4CPDE4D
SCHEMBL23558430 0.64 PGR (0.39) PGRPDE4APDE4BPDE4CPDE4D
SCHEMBL25864140 0.64 XDH (0.45) PGRTBK1
SCHEMBL23558399 0.64 CTSC (0.35) CTSCS1PR1
SCHEMBL12570130 0.64 AHR (0.51) PGRPDE3BPDE3ABMPR1BBMPR1A
SCHEMBL25867654 0.63 PGR (0.39) PGRPDE4APDE4BPDE4CPDE4D
SCHEMBL18189642 0.62 GRIA1 (0.62) PGRPDE4APDE4BPDE4CPDE4D
SCHEMBL18189581 0.62 GRIA1 (0.76) PGRPDE4APDE4BPDE4CPDE4D
SCHEMBL25856942 0.62 S1PR1 (0.34) CYP1A2CYP11B1CYP11B2S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2023-07-27 — — 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 (1 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-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 PGR 1551/4885PDE4A 347/4885PDE4B 348/4885

“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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