SCHEMBL26795228

SCHEMBL26795228

CCc1ccnc(-c2cc3ccn(CC4CCCCC4)c(=O)c3cc2F)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 1/20 0.38
▸ GRM2 Q14416 2/20 0.35
▸ TIPARP Q7Z3E1 4/20 0.34
▸ PDE1C Q14123 6/20 0.34
▸ PDE1A P54750 4/20 0.34
▸ PDE1B Q01064 4/20 0.34
▸ AGTR1 P30556 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ GRM1 Q13255 1/20 0.33
▸ PDE4A P27815 2/20 0.33
▸ PDE4B Q07343 2/20 0.33
▸ PDE4C Q08493 2/20 0.33
▸ PDE4D Q08499 2/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ GRIN1 Q05586 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ GRIN2B Q13224 1/20 0.32
▸ KIT P10721 1/20 0.32

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
SCHEMBL26800619 0.80 PSMB5 (0.38) GRM4GRM2TIPARPPDE1CPDE1A
SCHEMBL26804054 0.77 PDE1C (0.36) GRM4TIPARPPDE1CPDE1APDE1B
SCHEMBL26804099 0.77 TIPARP (0.38) GRM4TIPARPPDE1CPDE1APDE1B
SCHEMBL26804295 0.76 PDE4A (0.37) GRM4GRM2PDE1CPDE1APDE1B
SCHEMBL26795202 0.75 PDE1C (0.42) GRM4GRM2PDE1CPDE1APDE1B
SCHEMBL26795358 0.75 PDE1C (0.38) GRM4GRM2TIPARPPDE1CPDE1A
SCHEMBL26795404 0.72 KDM1A (0.34) GRM4GRM2PDE1CPDE1APDE1B
SCHEMBL26800602 0.72 PDE4A (0.34) GRM4TIPARPPDE1CPDE1APDE1B
SCHEMBL26795337 0.71 PDE4A (0.35) GRM4TIPARPPDE1CPDE1APDE1B
SCHEMBL25902177 0.70 TIPARP (0.43) GRM4TIPARPKITFLT3

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 GRM4 4760/4885GRM2 4803/4885TIPARP 491/4885

“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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