SCHEMBL26795404

SCHEMBL26795404

COC(C)(C)c1ccc(-c2cc3ccn(CC4CCCCC4)c(=O)c3cc2F)nc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.34
▸ GRM4 Q14833 1/20 0.34
▸ PDE1C Q14123 5/20 0.34
▸ PDE1A P54750 4/20 0.34
▸ PDE1B Q01064 4/20 0.34
▸ FLT3 P36888 2/20 0.33
▸ KIT P10721 1/20 0.33
▸ MAP3K5 Q99683 1/20 0.33
▸ PSMB5 P28074 1/20 0.33
▸ PSMB2 P49721 1/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ MTOR P42345 1/20 0.33
▸ GSK3A P49840 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 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
SCHEMBL26795337 0.87 PDE4A (0.35) GRM4PDE1CPDE1APDE1BFLT3
SCHEMBL26795358 0.83 PDE1C (0.38) GRM4PDE1CPDE1APDE1BFLT3
SCHEMBL26795202 0.79 PDE1C (0.42) GRM4PDE1CPDE1APDE1BFLT3
SCHEMBL26800619 0.78 PSMB5 (0.38) GRM4PDE1CPDE1APDE1BFLT3
SCHEMBL26804054 0.77 PDE1C (0.36) KDM1AGRM4PDE1CPDE1APDE1B
SCHEMBL26800602 0.74 PDE4A (0.34) GRM4PDE1CPDE1APDE1BFLT3
SCHEMBL26795283 0.73 GRM4 (0.34) GRM4PDE1CPDE1APDE1BFLT3
SCHEMBL26795228 0.72 GRM4 (0.38) GRM4PDE1CPDE1APDE1BFLT3
SCHEMBL26804099 0.71 TIPARP (0.38) GRM4PDE1CPDE1APDE1BFLT3
SCHEMBL25902177 0.71 TIPARP (0.43) GRM4FLT3KITPIK3CA

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 KDM1A 366/4885GRM4 4760/4885PDE1C 3801/4885

“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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