SCHEMBL3274768

SCHEMBL3274768

C=Cc1ccc2nccnc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.45
▸ RAB9A P51151 4/20 0.45
▸ PIK3CD O00329 1/20 0.45
▸ CSNK2A2 P19784 1/20 0.45
▸ MAOB P27338 1/20 0.45
▸ PIK3CA P42336 1/20 0.45
▸ PIK3CB P42338 1/20 0.45
▸ MTOR P42345 1/20 0.45
▸ PIK3CG P48736 1/20 0.45
▸ CLK1 P49759 1/20 0.45
▸ CSNK2B P67870 1/20 0.45
▸ CSNK2A1 P68400 1/20 0.45
▸ DYRK1A Q13627 1/20 0.45
▸ DYRK2 Q92630 1/20 0.45
▸ CISD1 Q9NZ45 1/20 0.45
▸ DYRK1B Q9Y463 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.43
▸ TGFBR1 P36897 1/20 0.43
▸ MAPT P10636 5/20 0.42
▸ CYP3A4 P08684 2/20 0.42

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
SCHEMBL6854662 0.83 NPC1 (0.42) NPC1RAB9APIK3CDCSNK2A2MAOB
SCHEMBL19792523 0.79 NPC1 (0.46) NPC1RAB9APIK3CDCSNK2A2MAOB
SCHEMBL6854668 0.78 CYP3A4 (0.47) NPC1RAB9APIK3CDCSNK2A2MAOB
SCHEMBL6654594 0.78 CYP3A4 (0.47) NPC1RAB9APIK3CDCSNK2A2MAOB
SCHEMBL97820 0.77 RAB9A (0.49) NPC1RAB9APIK3CDCSNK2A2MAOB
SCHEMBL28254402 0.77 NPC1 (0.45) NPC1RAB9APIK3CDCSNK2A2MAOB
SCHEMBL6630673 0.75 ALDH1A1 (0.53) NPC1RAB9AMTORALDH1A1MAPT
SCHEMBL2006927 0.75 ALDH1A1 (0.39) NPC1RAB9AALDH1A1TGFBR1MAPT
SCHEMBL30718798 0.75 NPC1 (0.60) NPC1RAB9APIK3CDCSNK2A2PIK3CA
SCHEMBL359176 0.75 NPC1 (0.60) NPC1RAB9APIK3CDCSNK2A2PIK3CA

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
WO-2023111686-A2 APTAMERS AND SMALL MOLECULE LIGANDS MEIRAGTX UK II LIMITED (GB) 2023-06-22 — — WO disclosed
WO-2023072969-A1 IMIDAZOLONE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES IN PARTICULAR DYRK1A, CLK1 AND/OR CLK4 PERHA PHARMACEUTICALS (FR) 2023-05-04 — — WO disclosed
WO-2017090756-A1 NOVEL BIPHENYL COMPOUND OR SALT THEREOF 大鵬薬品工業株式会社 2017-06-01 — — WO disclosed
US-7696210-B2 Gonadotropin releasing hormone receptor antagonists WYETH (US) 2010-04-13 — — US disclosed
US-7696210-B2 Gonadotropin releasing hormone receptor antagonists WYETH (US) 2010-04-13 — — US disclosed
US-7696210-B2 Gonadotropin releasing hormone receptor antagonists WYETH (US) 2010-04-13 — — US disclosed
US-7582636-B2 Piperazinylimidazopyridine and piperazinyltriazolopyridine antagonists of Gonadotropin Releasing Hormone receptor WYETH (US) 2009-09-01 — — US disclosed
US-7582636-B2 Piperazinylimidazopyridine and piperazinyltriazolopyridine antagonists of Gonadotropin Releasing Hormone receptor WYETH (US) 2009-09-01 — — US disclosed
US-7582636-B2 Piperazinylimidazopyridine and piperazinyltriazolopyridine antagonists of Gonadotropin Releasing Hormone receptor WYETH (US) 2009-09-01 — — US disclosed
CN-101006078-A Gonadotropin releasing hormone receptor antagonists WYETH CORP (US) 2007-07-25 — — CN disclosed
EP-1758895-A1 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS Wyeth a Corporation of the State of Delaware (US) 2007-03-07 — — EP disclosed
US-20060270848-A1 Piperazinylimidazopyridine and piperazinyltriazolopyridine antagonists of gonadotropin releasing hormone receptor WYETH (US) 2006-11-30 — — US disclosed
US-20060019965-A1 Gonadotropin releasing hormone receptor antagonists WYETH (US) 2006-01-26 — — US disclosed
WO-2006009734-A1 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS WYETH (US) 2006-01-26 — — 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 (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-20060019965-A1 Gonadotropin releasing hormone receptor antagonists GNRHR, GHRHR, LHCGR NPC1 2996/4885RAB9A 2269/4885PIK3CD 4688/4885
US-20060270848-A1 Piperazinylimidazopyridine and piperazinyltriazolopyridine antagonists of gonadotropin releasing hormone receptor GNRHR, PRLHR, FSHR NPC1 3818/4885RAB9A 3912/4885PIK3CD 4074/4885

“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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