Sugi Predict

Sugi Predict / Compounds / SCHEMBL2731084

SCHEMBL2731084

SCHEMBL2731084

Nn1c(=S)[nH]c2ccccc2c1=O

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.68
▸ MPO P05164 4/20 0.61
▸ L3MBTL1 Q9Y468 1/20 0.60
▸ PDE7A Q13946 1/20 0.60
▸ PDE7B Q9NP56 1/20 0.60
▸ XDH P47989 2/20 0.56
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ HTT P42858 1/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ MAPT P10636 1/20 0.54
▸ NPC1 O15118 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.51
▸ GLA P06280 1/20 0.51
▸ HAVCR2 Q8TDQ0 1/20 0.51

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
SCHEMBL3754362 0.81 ALDH1A1 (1.00) ALDH1A1L3MBTL1HTTSMN1; SMN2KDM4E
SCHEMBL6299915 0.78 ALDH1A1 (0.70) ALDH1A1MPOL3MBTL1PDE7APDE7B
SCHEMBL24754440 0.78 CA12 (0.68) ALDH1A1MPOL3MBTL1PDE7APDE7B
SCHEMBL15215602 0.76 MPO (0.58) ALDH1A1MPOXDHMEN1KMT2A
SCHEMBL15549239 0.76 MPO (1.00) MPOXDHMEN1KMT2A
SCHEMBL30103233 0.75 PDE7A (1.00) ALDH1A1L3MBTL1PDE7APDE7BMEN1
SCHEMBL844588 0.75 PDE7A (1.00) ALDH1A1L3MBTL1PDE7APDE7BMEN1
SCHEMBL6299962 0.74 CYP1A2 (0.71) ALDH1A1MPOXDHMEN1KMT2A
SCHEMBL18884080 0.74 ALDH1A1 (0.59) ALDH1A1MPOL3MBTL1PDE7APDE7B
SCHEMBL2730278 0.73 KDM4E (0.65) ALDH1A1MPOXDHMEN1KMT2A

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2632466-A2 QUINAZOLINE DERIVATIVES, COMPOSITIONS, AND USES RELATED THERETO Emory University (US) 2013-09-04 — — EP claimed
US-20130225612-A1 QUINAZOLINE DERIVATIVES, COMPOSITIONS, AND USES RELATED THERETO EMORY UNIVERSITY (US) 2013-08-29 — — US claimed
WO-2012058211-A2 QUINAZOLINE DERIVATIVES, COMPOSITIONS, AND USES RELATED THERETO EMORY UNIVERSITY (US) 2012-05-03 — — WO claimed
US-20050054696-A1 Indole compounds and medicinal use thereof JAPAN TOBACCO INC. (JP) 2005-03-10 — — US claimed
EP-1452526-A1 INDOLE COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2004-09-01 — — EP claimed
US-11192893-B2 Pyrazoloquinazolinone antitumor agents THE ROCKEFELLER UNIVERSITY (US) 2021-12-07 — — US disclosed
US-11192893-B2 Pyrazoloquinazolinone antitumor agents THE ROCKEFELLER UNIVERSITY (US) 2021-12-07 — — US disclosed
US-20200148687-A1 PYRAZOLOQUINAZOLINONE ANTITUMOR AGENTS THE ROCKEFELLER UNIVERSITY (US) 2020-05-14 — — US disclosed
US-20200148687-A1 PYRAZOLOQUINAZOLINONE ANTITUMOR AGENTS THE ROCKEFELLER UNIVERSITY (US) 2020-05-14 — — US disclosed
EP-3624805-A1 PYRAZOLOQUINAZOLINONE ANTITUMOR AGENTS Kapoor, Tarun, M. (US) 2020-03-25 — — EP disclosed
WO-2018213712-A1 PYRAZOLOQUINAZOLINONE ANTITUMOR AGENTS KAPOOR TARUN M (US) 2018-11-22 — — WO disclosed
US-9868728-B2 Quinazoline derivatives, compositions, and uses related thereto EMORY UNIVERSITY (US) 2018-01-16 — — US disclosed
US-20100160315-A1 NOVEL 2, 3-DIAMINO-QUINAZOLINONE DERIVATIVES AND THEIR MEDICAL USE NEURO SEARCH A/S (DK) 2010-06-24 — — US disclosed
EP-2152272-A2 NOVEL 2,3-DIAMINO-QUINAZOLINONE DERIVATIVES AND THEIR MEDICAL USE NeuroSearch A/S (DK) 2010-02-17 — — EP disclosed
WO-2008142140-A2 NOVEL 2,3-DIAMINO-QUINAZOLINONE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2008-11-27 — — WO disclosed
US-20060257852-A1 Severe acute respiratory syndrome coronavirus CHIRON CORPORATION (US) 2006-11-16 — — US disclosed
EP-1618127-A2 THE SEVERE ACUTE RESPIRATORY SYNDROME CORONAVIRUS CHIRON CORPORATION (US) 2006-01-25 — — EP disclosed
US-20050054696-A1 Indole compounds and medicinal use thereof JAPAN TOBACCO INC. (JP) 2005-03-10 — — US disclosed
WO-2004092360-A2 THE SEVERE ACUTE RESPIRATORY SYNDROME CORONAVIRUS CHIRON CORPORATION (US) 2004-10-28 — — WO disclosed
EP-1452526-A1 INDOLE COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2004-09-01 — — EP 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 (6 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-20100160315-A1 NOVEL 2, 3-DIAMINO-QUINAZOLINONE DERIVATIVES AND THEIR MEDICAL USE KCNJ2, KCNN3, KCNK17 ALDH1A1 1660/4885MPO 2584/4885L3MBTL1 4459/4885
US-20130225612-A1 QUINAZOLINE DERIVATIVES, COMPOSITIONS, AND USES RELATED THERETO NOX4, NOX5, NQO2 ALDH1A1 458/4885MPO 10/4885L3MBTL1 4649/4885
US-20200148687-A1 PYRAZOLOQUINAZOLINONE ANTITUMOR AGENTS H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCCS, TPD52L2 ALDH1A1 317/4885MPO 4524/4885L3MBTL1 661/4885
US-20060257852-A1 Severe acute respiratory syndrome coronavirus SARS1, ACE2, ACE ALDH1A1 4337/4885MPO 1586/4885L3MBTL1 1276/4885
US-20050054696-A1 Indole compounds and medicinal use thereof IDO1, GPR119, SLC5A1 ALDH1A1 408/4885MPO 2232/4885L3MBTL1 1728/4885
US-11192893-B2 Pyrazoloquinazolinone antitumor agents H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCCS, TPD52L2 ALDH1A1 317/4885MPO 4524/4885L3MBTL1 661/4885

“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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