SCHEMBL27192148

SCHEMBL27192148

O=c1[nH]c2cc(Br)ccc2c(=O)n1-c1cncc2cccnc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 1/20 0.41
▸ NPEPPS P55786 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ CYP1A2 P05177 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ AKT2 P31751 1/20 0.36
▸ CLK2 P49760 1/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ CLK4 Q9HAZ1 1/20 0.36
▸ ITK Q08881 1/20 0.36
▸ GRM4 Q14833 1/20 0.36
▸ PTGES O14684 1/20 0.36

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
SCHEMBL27192169 0.84 NPEPPS (0.47) AURKANPEPPSKDM4EHTTCYP3A4
SCHEMBL27192094 0.83 ALDH1A1 (0.47) KDM4EHTTMEN1PKMKMT2A
SCHEMBL27192061 0.81 CYP1A2 (0.32) NPEPPSKDM4EHTTCYP1A2CYP3A4
SCHEMBL30032168 0.78 NPEPPS (0.49) AURKANPEPPSKDM4EHTTCYP1A2
SCHEMBL27191886 0.77 HSD17B10 (0.41) KDM4EHTTCYP1A2CYP3A4CYP2C19
SCHEMBL27377725 0.77 METAP2 (0.43) NPEPPSKDM4EHTTCYP1A2CYP3A4
SCHEMBL31509783 0.76 HTT (0.45) KDM4EHTTCYP1A2CYP3A4CYP2C19
SCHEMBL27381837 0.76 ALDH1A1 (0.32) KDM4EHTTMEN1KMT2AALDH1A1
SCHEMBL31268500 0.74 HPGD (0.46) AURKANPEPPSKDM4EHTTCYP1A2
SCHEMBL31268501 0.74 HPGD (0.46) AURKANPEPPSKDM4EHTTCYP1A2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12410183-B2 Sars-cov2 main protease inhibitors GILEAD SCIENCES, INC. (US) 2025-09-09 — — US disclosed
EP-4565574-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2025-06-11 — — EP disclosed
CN-119731159-A SARS-CoV2 main proteinase inhibitor 吉利德科学公司 2025-03-28 — — CN disclosed
US-20250042915-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2025-02-06 — — US disclosed
US-12091420-B2 SARS-COV2 main protease inhibitors GILEAD SCIENCES, INC. (US) 2024-09-17 — — US disclosed
US-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2024-07-18 — — US disclosed
US-20240116946-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2024-04-11 — — US disclosed
WO-2024031089-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2024-02-08 — — WO 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 (5 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-20250042915-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE AURKA 3698/4885NPEPPS 168/4885KDM4E 3744/4885
US-12091420-B2 SARS-COV2 main protease inhibitors ACE2, TMPRSS2, ACE AURKA 3698/4885NPEPPS 168/4885KDM4E 3744/4885
US-20240116946-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE AURKA 3698/4885NPEPPS 168/4885KDM4E 3744/4885
US-12410183-B2 Sars-cov2 main protease inhibitors ACE2, TMPRSS2, ACE AURKA 3698/4885NPEPPS 168/4885KDM4E 3744/4885
US-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE AURKA 3698/4885NPEPPS 168/4885KDM4E 3744/4885

“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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