SCHEMBL26795358

SCHEMBL26795358

O=c1c2cc(F)c(-c3ccc(Cl)cn3)cc2ccn1CC1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE1C Q14123 6/20 0.38
▸ PDE1A P54750 4/20 0.38
▸ PDE1B Q01064 4/20 0.38
▸ GRM4 Q14833 1/20 0.37
▸ GRIN2B Q13224 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ GRIN1 Q05586 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ GRM2 Q14416 2/20 0.35
▸ KIT P10721 1/20 0.34
▸ FLT3 P36888 1/20 0.34
▸ IL4I1 Q96RQ9 1/20 0.34
▸ HTR2A P28223 2/20 0.33
▸ HTR2C P28335 2/20 0.33
▸ SLC6A4 P31645 2/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ PDE5A O76074 1/20 0.33
▸ TIPARP Q7Z3E1 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
SCHEMBL26795202 0.84 PDE1C (0.42) PDE1CPDE1APDE1BGRM4GRIN2B
SCHEMBL26795404 0.83 KDM1A (0.34) PDE1CPDE1APDE1BGRM4GRIN2B
SCHEMBL25904817 0.82 TIPARP (0.38) CYP1A2CYP2C9GRM2FLT3TIPARP
SCHEMBL26795337 0.82 PDE4A (0.35) PDE1CPDE1APDE1BGRM4GRIN2B
SCHEMBL26795179 0.80 KAT2B (0.36) —
SCHEMBL26800672 0.78 GRM4 (0.35) PDE1CPDE1APDE1BGRM4GRIN2B
SCHEMBL26800619 0.78 PSMB5 (0.38) PDE1CPDE1APDE1BGRM4GRIN2B
SCHEMBL26795283 0.77 GRM4 (0.34) PDE1CPDE1APDE1BGRM4KIT
SCHEMBL26804099 0.76 TIPARP (0.38) PDE1CPDE1APDE1BGRM4GRIN2B
SCHEMBL26804054 0.76 PDE1C (0.36) PDE1CPDE1APDE1BGRM4GRIN2B

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 PDE1C 3801/4885PDE1A 3082/4885PDE1B 3456/4885

“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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