SCHEMBL30701959

SCHEMBL30701959

O=c1[nH]c2cc(-c3ccccc3Cl)ccc2c(=O)n1-c1cnccc1N1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.43
CYP2C19 P33261 2/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
TNKS2 Q9H2K2 1/20 0.41
HTR7 P34969 2/20 0.41
PIM1 P11309 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
PDE10A Q9Y233 1/20 0.39
PTGES O14684 3/20 0.39
CYP2C9 P11712 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
METAP2 P50579 1/20 0.37
ADRB1 P08588 1/20 0.37
MAPK14 Q16539 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35

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
SCHEMBL27191803 1.00 CYP3A4 (0.43) CYP3A4CYP2C19LMNACYP1A2CLK4
SCHEMBL27378767 0.90 CNR2 (0.42) CYP3A4CYP2C19CYP1A2CLK4TNKS2
SCHEMBL27191946 0.83 HTR7 (0.40) CYP3A4CYP2C19LMNACYP1A2CLK4
SCHEMBL30702007 0.83 HTR7 (0.40) CYP3A4CYP2C19LMNACYP1A2CLK4
SCHEMBL31018955 0.83 TNKS2 (0.54) CYP3A4CYP2C19CLK4TNKS2PDE10A
SCHEMBL27192123 0.83 TNKS2 (0.54) CYP3A4CYP2C19CLK4TNKS2PDE10A
SCHEMBL27378704 0.82 TNKS2 (0.47) CYP3A4CYP2C19CLK4TNKS2PDE10A
SCHEMBL27378705 0.80 TNKS2 (0.43) CYP3A4CYP2C19CLK4TNKS2PDE10A
SCHEMBL29326522 0.79 TNKS2 (0.46) TNKS2KDM4EHTTMETAP2ALDH1A1
SCHEMBL29326510 0.79 TNKS2 (0.44) CYP3A4CYP2C19CLK4TNKS2PDE10A

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 6 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-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2024-07-18 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 (3 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 CYP3A4 195/4885CYP2C19 194/4885LMNA 3885/4885
US-12410183-B2 Sars-cov2 main protease inhibitors ACE2, TMPRSS2, ACE CYP3A4 195/4885CYP2C19 194/4885LMNA 3885/4885
US-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE CYP3A4 195/4885CYP2C19 194/4885LMNA 3885/4885

“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.