SCHEMBL31714810

SCHEMBL31714810

COc1ccc(Cn2c(C)nc3nc(Cl)nc(Oc4c(C)cc(/C=C/C#N)cc4C)c32)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DCTPP1 Q9H773 4/20 0.39
▸ CYP2C9 P11712 5/20 0.38
▸ CYP2C19 P33261 5/20 0.38
▸ CYP3A4 P08684 4/20 0.38
▸ KCNH2 Q12809 4/20 0.37
▸ CYP2D6 P10635 3/20 0.37
▸ BRD4 O60885 2/20 0.33
▸ MDM4 O15151 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MDM2 Q00987 1/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ GLA P06280 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ LMNA P02545 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
SCHEMBL31715131 0.93 DCTPP1 (0.41) DCTPP1CYP2C9CYP2C19CYP3A4KCNH2
SCHEMBL31715074 0.91 DCTPP1 (0.38) DCTPP1CYP2C9CYP2C19CYP3A4KCNH2
SCHEMBL31714935 0.89 CYP2C9 (0.33) CYP2C9CYP2C19CYP3A4KCNH2CYP2D6
SCHEMBL31714865 0.88 CYP2C9 (0.36) DCTPP1CYP2C9CYP2C19CYP3A4KCNH2
SCHEMBL12311043 0.85 CYP2C9 (0.39) CYP2C9CYP2C19CYP3A4KCNH2CYP2D6
SCHEMBL31714623 0.85 CYP2C9 (0.39) CYP2C9CYP2C19CYP3A4KCNH2CYP2D6
SCHEMBL31714678 0.83 CYP2C9 (0.38) DCTPP1CYP2C9CYP2C19CYP3A4KCNH2
SCHEMBL31714902 0.80 CYP2C9 (0.38) CYP2C9CYP2C19CYP3A4KCNH2CYP2D6
SCHEMBL31714981 0.78 YTHDC1 (0.42) CYP2C9CYP2C19CYP3A4KCNH2CYP2D6
SCHEMBL31714943 0.78 DCTPP1 (0.35) DCTPP1CYP2C9CYP2C19CYP3A4KCNH2

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-20250333424-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2025-10-30 — — 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-20250333424-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, IRF3 DCTPP1 142/4885CYP2C9 2850/4885CYP2C19 3152/4885

“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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