Sugi Predict

Sugi Predict / Compounds / SCHEMBL3272467

SCHEMBL3272467

SCHEMBL3272467

O=C(Cc1ccncc1)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR4A1 P22736 1/20 0.60
▸ NR4A2 P43354 1/20 0.60
▸ NR4A3 Q92570 1/20 0.60
▸ CYP19A1 P11511 1/20 0.60
▸ CYP11B1 P15538 1/20 0.60
▸ CYP11B2 P19099 1/20 0.60
▸ L3MBTL1 Q9Y468 1/20 0.59
▸ MAOB P27338 1/20 0.57
▸ PARP10 Q53GL7 1/20 0.57
▸ SRD5A2 P31213 1/20 0.56
▸ MAPT P10636 3/20 0.56
▸ EGFR P00533 2/20 0.56
▸ PLA2G4B P0C869 1/20 0.54
▸ ALDH1A1 P00352 2/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ GAA P10253 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ ALOX5 P09917 1/20 0.52
▸ STS P08842 1/20 0.52

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
SCHEMBL4220632 0.91 NR4A1 (0.72) NR4A1NR4A2NR4A3L3MBTL1MAOB
SCHEMBL11996178 0.85 PARP10 (0.63) CYP19A1CYP11B1CYP11B2L3MBTL1MAOB
SCHEMBL1419819 0.83 L3MBTL1 (0.70) NR4A1NR4A2NR4A3L3MBTL1MAOB
SCHEMBL6208174 0.83 L3MBTL1 (0.70) NR4A1NR4A2NR4A3L3MBTL1MAOB
SCHEMBL17129401 0.83 RXRA (0.64) L3MBTL1MAOBPARP10MAPTALDH1A1
SCHEMBL6501915 0.82 RAB9A (0.66) NR4A1NR4A2NR4A3CYP19A1CYP11B1
SCHEMBL2165357 0.82 RAB9A (0.57) NR4A1NR4A2NR4A3CYP19A1CYP11B1
SCHEMBL17129191 0.82 MRGPRX4 (0.50) NR4A2CYP19A1CYP11B1CYP11B2L3MBTL1
SCHEMBL18906034 0.82 NR4A2 (0.72) NR4A1NR4A2NR4A3MAOBPARP10
SCHEMBL1515846 0.81 ALDH1A1 (0.66) CYP19A1L3MBTL1SRD5A2MAPTALDH1A1

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
CN-117751107-A Organic pyridine-pyrazole compounds and uses thereof 博善人工智能剑桥有限公司 2024-03-22 — — CN disclosed
WO-2023007185-A1 IMIDAZOLE ORGANIC COMPOUNDS AND THEIR USE AGAINST INFLAMMATORY BOWEL DISEASE Benevolentai Cambridge Limited (GB) 2023-02-02 — — WO disclosed
WO-2023007184-A1 ORGANIC PYRIDINE-PYRAZOLE COMPOUNDS AND THEIR USES Benevolentai Cambridge Limited (GB) 2023-02-02 — — WO disclosed
US-20160058894-A1 RADIOLABELED PDE10A LIGANDS ABBVIE DEUTSCHLAND (DE) 2016-03-03 — — US disclosed
US-20160058894-A1 RADIOLABELED PDE10A LIGANDS ABBVIE DEUTSCHLAND (DE) 2016-03-03 — — US disclosed
US-20160058894-A1 RADIOLABELED PDE10A LIGANDS ABBVIE DEUTSCHLAND (DE) 2016-03-03 — — US disclosed
US-9138494-B2 Radiolabeled PDE10A ligands ABBVIE INC. (US) 2015-09-22 — — US disclosed
US-9138494-B2 Radiolabeled PDE10A ligands ABBVIE INC. (US) 2015-09-22 — — US disclosed
US-9138494-B2 Radiolabeled PDE10A ligands ABBVIE INC. (US) 2015-09-22 — — US disclosed
US-20130343992-A1 RADIOLABELED PDE10A LIGANDS ABBVIE INC. (US) 2013-12-26 — — US disclosed
US-7429665-B2 Heteroaromatic quinoline compounds PFIZER INC (US) 2008-09-30 — — US disclosed
US-7429665-B2 Heteroaromatic quinoline compounds PFIZER INC (US) 2008-09-30 — — US disclosed
US-20080214607-A1 HETEROAROMATIC QUINOLINE COMPOUNDS PFIZER INC 2008-09-04 — — US disclosed
US-20080214607-A1 HETEROAROMATIC QUINOLINE COMPOUNDS PFIZER INC 2008-09-04 — — US disclosed
US-20080214607-A1 HETEROAROMATIC QUINOLINE COMPOUNDS PFIZER INC 2008-09-04 — — US disclosed
EP-1841757-A2 HETEROAROMATIC QUINOLINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS Pfizer Products Incorporated (US) 2007-10-10 — — EP disclosed
WO-2007077490-A2 BICYCLIC HETEROARYL COMPOUNDS AS PDE10 INHIBITORS PFIZER PRODUCTS INC. (US) 2007-07-12 — — WO disclosed
US-20070155779-A1 BICYCLIC HETEROARYL COMPOUNDS AS PDE10 INHIBITORS PFIZER INC 2007-07-05 — — US disclosed
US-20060154931-A1 Heteroaromatic quinoline compounds PFIZER INC 2006-07-13 — — US disclosed
WO-2006072828-A2 HETEROAROMATIC QUINOLINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS PFIZER PRODUCTS INC. (US) 2006-07-13 — — 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-20130343992-A1 RADIOLABELED PDE10A LIGANDS PDE10A, PDE3A, PDE5A NR4A1 3565/4885NR4A2 3714/4885NR4A3 3509/4885
US-20060154931-A1 Heteroaromatic quinoline compounds PDE12, PDE7A, PDE4A NR4A1 3401/4885NR4A2 3469/4885NR4A3 3145/4885
US-20070155779-A1 BICYCLIC HETEROARYL COMPOUNDS AS PDE10 INHIBITORS PDE12, PDE10A, PDE7A NR4A1 3737/4885NR4A2 3681/4885NR4A3 3426/4885
US-20160058894-A1 RADIOLABELED PDE10A LIGANDS PDE10A, PDE3A, PDE5A NR4A1 3565/4885NR4A2 3714/4885NR4A3 3509/4885
US-20080214607-A1 HETEROAROMATIC QUINOLINE COMPOUNDS PDE12, PDE7A, PDE4A NR4A1 3401/4885NR4A2 3469/4885NR4A3 3145/4885

“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.