SCHEMBL26800602

SCHEMBL26800602

Cn1nc(-c2cc3ccn(CC4CCCCC4)c(=O)c3cc2F)cc1C(F)(F)P

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 3/20 0.34
▸ PDE4B Q07343 3/20 0.34
▸ PDE4C Q08493 3/20 0.34
▸ PDE4D Q08499 3/20 0.34
▸ GRM4 Q14833 1/20 0.33
▸ KIT P10721 1/20 0.33
▸ FLT3 P36888 1/20 0.33
▸ TIPARP Q7Z3E1 4/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ GRIN1 Q05586 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ GRIN2B Q13224 1/20 0.31
▸ PDE1A P54750 2/20 0.31
▸ PDE1B Q01064 2/20 0.31
▸ PDE1C Q14123 2/20 0.31
▸ PSMB5 P28074 1/20 0.31
▸ PSMB2 P49721 1/20 0.31
▸ CNR2 P34972 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
SCHEMBL26795202 0.75 PDE1C (0.42) PDE4APDE4BPDE4CPDE4DGRM4
SCHEMBL26795358 0.75 PDE1C (0.38) PDE4APDE4BPDE4CPDE4DGRM4
SCHEMBL26795337 0.75 PDE4A (0.35) PDE4APDE4BPDE4CPDE4DGRM4
SCHEMBL26804054 0.75 PDE1C (0.36) PDE4APDE4BPDE4CPDE4DGRM4
SCHEMBL25321083 0.74 TIPARP (0.44) GRM4KITFLT3TIPARP
SCHEMBL30550896 0.74 TIPARP (0.44) GRM4KITFLT3TIPARP
SCHEMBL26795404 0.74 KDM1A (0.34) PDE4APDE4BPDE4CPDE4DGRM4
SCHEMBL26800619 0.72 PSMB5 (0.38) GRM4FLT3TIPARPCYP1A2CYP2C9
SCHEMBL25908296 0.72 ALDH1A1 (0.37) KITFLT3TIPARPCYP1A2CYP2C9
SCHEMBL26795283 0.72 GRM4 (0.34) PDE4APDE4BPDE4CPDE4DGRM4

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-20230365529-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. 2023-11-16 — — 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-20230365529-A1 PARP7 INHIBITORS PARP1, PARP11, PARP2 PDE4A 2530/4885PDE4B 1819/4885PDE4C 3164/4885

“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.

Send feedback