SCHEMBL9700032

SCHEMBL9700032

c1cc(-c2cn3c(n2)CCC3)ccn1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ WDR5 P61964 14/20 0.73
▸ ALDH1A1 P00352 3/20 0.73
▸ LMNA P02545 4/20 0.69
▸ NPC1 O15118 4/20 0.69
▸ RAB9A P51151 4/20 0.69
▸ HTT P42858 2/20 0.69
▸ KDM4E B2RXH2 1/20 0.67
▸ KMT2A Q03164 2/20 0.61
▸ GAA P10253 1/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.61
▸ MAPT P10636 1/20 0.60
▸ RXFP1 Q9HBX9 1/20 0.60
▸ HRH3 Q9Y5N1 1/20 0.48

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
Bromide SCHEMBL9839171 0.98 WDR5 (0.71) WDR5ALDH1A1LMNANPC1RAB9A
SCHEMBL989261 0.84 WDR5 (1.00) WDR5ALDH1A1LMNANPC1RAB9A
SCHEMBL4839735 0.81 WDR5 (0.71) WDR5ALDH1A1LMNANPC1RAB9A
SCHEMBL4839937 0.79 WDR5 (0.90) WDR5ALDH1A1LMNANPC1RAB9A
SCHEMBL9199162 0.78 WDR5 (1.00) WDR5ALDH1A1LMNANPC1RAB9A
SCHEMBL9293256 0.78 WDR5 (0.66) WDR5ALDH1A1LMNANPC1RAB9A
SCHEMBL9698908 0.77 LMNA (0.70) WDR5ALDH1A1LMNANPC1RAB9A
SCHEMBL5308466 0.77 ALDH1A1 (0.70) WDR5ALDH1A1LMNANPC1RAB9A
SCHEMBL5778043 0.77 LMNA (0.70) WDR5ALDH1A1LMNANPC1RAB9A
SCHEMBL15933687 0.76 PDCD1 (0.53) WDR5ALDH1A1LMNANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1032011-A Pyrrolo-imidazoles and imidazopyridine and application thereof SMITHKLINE BECKMAN CORP (US) 1989-03-29 — — CN claimed
US-20180030033-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A AbbVie Deutschland GmbH & Co. KG (DE) 2018-02-01 — — US disclosed
US-9790203-B2 Inhibitor compounds of phosphodiesterase type 10A ABBVIE INC. (US) 2017-10-17 — — US disclosed
EP-2922842-B1 INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A ABBVIE INC (US) 2017-06-14 — — EP disclosed
CN-104995183-A Novel phosphodiesterase type 10A inhibitor compounds ABBVIE INC 2015-10-21 — — CN disclosed
EP-2922842-A2 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A AbbVie Inc. (US) 2015-09-30 — — EP disclosed
WO-2014079995-A2 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A ABBVIE INC. (US) 2014-05-30 — — WO disclosed
US-20140148461-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A AbbVie Deutschland GmbH & Co. KG (DE) 2014-05-29 — — US disclosed
US-5145858-A Antiinflammatory SMITHKLINE BEECHAM CORP. (US) 1992-09-08 — — US disclosed
US-5002941-A Antiarthritic agents, arachidonic acid metabolism SMITHKLINE BEECHAM CORPORATION (US) 1991-03-26 — — US disclosed
WO-1990003789-A1 PYRROLO[1,2-a]IMIDAZOLE AND IMIDAZO[1,2-a]PYRIDINE DERIVATIVES AND THEIR USE AS 5-LYPOXYGENASE PATHWAY INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1990-04-19 — — WO disclosed
EP-0364204-A1 Pyrrolo[1,2-a]imidazole and imidazo[1,2-a]pyridine derivatives and their use as 5-lipoxygenase pathway inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1990-04-18 — — EP disclosed
CN-1032011-A Pyrrolo-imidazoles and imidazopyridine and application thereof SMITHKLINE BECKMAN CORP (US) 1989-03-29 — — CN disclosed
EP-0306300-A2 Pyrrolo(1,2-a)imidazole and imidazo(1,2-a)pyridine derivatives and their use as 5-lipoxygenase pathway inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1989-03-08 — — 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 (2 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-20180030033-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE1A, PDE1B, PDE3A WDR5 4542/4885ALDH1A1 272/4885LMNA 1231/4885
US-20140148461-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE1A, PDE1B, PDE3A WDR5 4548/4885ALDH1A1 273/4885LMNA 1244/4885

“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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