SCHEMBL25856809

SCHEMBL25856809

C=CCCc1ccc(C2=NC(c3ccc4[nH]ccc4c3)=NC2)cc1C#N

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NISCH Q9Y2I1 1/20 0.34
▸ CDK1 P06493 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ RIPK3 Q9Y572 1/20 0.34
▸ IMPDH2 P12268 1/20 0.34
▸ IMPDH1 P20839 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ PRKCQ Q04759 2/20 0.33
▸ SLC6A2 P23975 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ TBK1 Q9UHD2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CYP17A1 P05093 1/20 0.32
▸ CYP11B1 P15538 1/20 0.32
▸ CYP11B2 P19099 1/20 0.32
▸ BRD4 O60885 1/20 0.31
▸ GUSB P08236 1/20 0.31

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
SCHEMBL25856711 0.76 CYP1A2 (0.36) CYP11B1CYP11B2
SCHEMBL25863699 0.67 S1PR1 (0.50) BRD4
SCHEMBL23558148 0.64 PSMB8 (0.40) CDK1KDRRIPK3IMPDH2IMPDH1
SCHEMBL25856557 0.64 PSMB8 (0.40) CDK1KDRRIPK3IMPDH2IMPDH1
SCHEMBL25498336 0.62 NISCH (0.34) NISCHCDK1NPC1GUSB
SCHEMBL25856880 0.62 PGR (0.40) TBK1CYP11B1CYP11B2
SCHEMBL20588060 0.59 S1PR1 (0.49) CDK1KDRPRKCQBRD4
SCHEMBL5485659 0.58 IMPDH2 (0.73) NISCHIMPDH2IMPDH1NPC1SLC6A2
SCHEMBL7020381 0.58 TRPA1 (0.62) IMPDH2IMPDH1NPC1PRKCQGUSB
SCHEMBL5850255 0.58 NPC1 (0.79) NISCHIMPDH2IMPDH1NPC1CYP17A1

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 NISCH 4079/4885CDK1 2453/4885KDR 406/4885

“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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