Sugi Predict

Sugi Predict / Compounds / SCHEMBL4099342

SCHEMBL4099342

SCHEMBL4099342

N#Cc1[nH]nnc1-c1ccc(C=Cc2ccccc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ HPGD P15428 6/20 0.35
▸ SMN1; SMN2 Q16637 5/20 0.35
▸ ERBB2 P04626 2/20 0.35
▸ CHEK1 O14757 2/20 0.35
▸ MAOB P27338 2/20 0.34
▸ NFE2L2 Q16236 1/20 0.34
▸ CYP19A1 P11511 1/20 0.34
▸ MAOA P21397 1/20 0.34
▸ KDM4E B2RXH2 7/20 0.33
▸ GLA P06280 4/20 0.33
▸ GAA P10253 4/20 0.33
▸ NPC1 O15118 4/20 0.33
▸ RAB9A P51151 4/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ ATM Q13315 3/20 0.33
▸ MAPT P10636 2/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ MAPK1 P28482 1/20 0.33

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
SCHEMBL4099340 1.00 KMT2A (0.37) KMT2AMEN1HPGDSMN1; SMN2ERBB2
SCHEMBL18004357 0.87 CHEK1 (0.36) KMT2AMEN1HPGDERBB2CHEK1
SCHEMBL18004540 0.87 ERBB2 (0.42) KMT2AMEN1ERBB2NFE2L2GAA
SCHEMBL18004136 0.85 ADORA1 (0.45) KMT2AMEN1HPGDERBB2CHEK1
SCHEMBL18003968 0.85 ADORA1 (0.45) KMT2AMEN1HPGDERBB2CHEK1
SCHEMBL12386160 0.85 ERBB2 (0.46) KMT2AMEN1HPGDERBB2CHEK1
SCHEMBL18004539 0.83 KIF11 (0.41) MAOBMAOACYP1A2
SCHEMBL18004386 0.83 HPGD (0.36) KMT2AMEN1HPGDSMN1; SMN2CHEK1
SCHEMBL18004535 0.82 NFE2L2 (0.48) KMT2AMEN1MAOBNFE2L2MAOA
SCHEMBL18015139 0.82 CHEK1 (0.33) CHEK1NFE2L2ATMADORA1NEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090123563-A1 Pharmaceutical Preparations Comprising Insulin, Zinc Ions and Zinc-Binding Ligand NOVO NORDISK A/S (DK) 2009-05-14 — — US disclosed
EP-1585541-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING INSULIN AND LEGENDS OF INSULIN HEXAMER NOVO NORDISK AS (DK) 2007-11-14 — — EP disclosed
EP-1429763-B1 NOVEL LIGANDS FOR THE HisB10 Zn2+ SITES OF THE R-STATE INSULIN HEXAMER NOVO NORDISK AS (DK) 2007-05-30 — — EP disclosed
EP-1768694-A1 PHAMACEUTICAL PREPARATIONS COMPRISING INSULIN NOVO NORDISK A/S (DK) 2007-04-04 — — EP disclosed
US-20060258561-A1 Novel NPH insulin preparations NOVO NORDISK A/S (DK) 2006-11-16 — — US disclosed
WO-2006082245-A1 PHARMACEUTICAL PREPARATIONS COMPRISING INSULIN, ZINC IONS AND A ZINC-BINDING LIGAND NOVO NORDISK A/S (DK) 2006-08-10 — — WO disclosed
CN-1787833-A Pharmaceutical preparation comprising acid-stabilized insulin NOVO NORDISK AS (DK) 2006-06-14 — — CN disclosed
US-20060069013-A1 Pharmaceutical preparations comprising acid-stabilised insulin NOVO NORDISK A/S (DK) 2006-03-30 — — US disclosed
WO-2006005683-A1 PHAMACEUTICAL PREPARATIONS COMPRISING INSULIN NOVO NORDISK A/S (DK) 2006-01-19 — — WO disclosed
EP-1610812-A1 PHARMACEUTICAL PREPARATIONS COMPRISING ACID-STABILISED INSULIN NOVO NORDISK A/S (DK) 2006-01-04 — — EP disclosed
EP-1605967-A1 NOVEL NPH INSULIN PREPARATIONS NOVO NORDISK A/S (DK) 2005-12-21 — — EP disclosed
EP-1585541-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING INSULIN AND LEGENDS OF INSULIN HEXAMER NOVO NORDISK A/S (DK) 2005-10-19 — — EP disclosed
US-20050065066-A1 comprising insulin and novel ligands for the HisB10 Zn2+ sites of the R-state insulin hexamer; physical and chemical stability NOVO NORDISK A/S (DK) 2005-03-24 — — US disclosed
CN-1558762-A Novel ligands for the HisB10 Zn2+ sites of the R-state insulin hexamer ŵ��Ų�ڿ˹�˾ 2004-12-29 — — CN disclosed
WO-2004080481-A1 NOVEL NPH INSULIN PREPARATIONS NOVO NORDISK A/S (DK) 2004-09-23 — — WO disclosed
WO-2004080480-A1 PHARMACEUTICAL PREPARATIONS COMPRISING ACID-STABILISED INSULIN NOVO NORDISK A/S (DK) 2004-09-23 — — WO disclosed
WO-2004056347-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING INSULIN AND LEGENDS OF INSULIN HEXAMER NOVO NORDISK A/S (DK) 2004-07-08 — — WO disclosed
EP-1429763-A2 NOVEL LIGANDS FOR THE HisB10 Zn2+ SITES OF THE R-STATE INSULIN HEXAMER NOVO NORDISK A/S (DK) 2004-06-23 — — EP disclosed
WO-2003027081-A2 NOVEL LIGANDS FOR THE HisB10 Zn2+ SITES OF THE R-STATE INSULIN HEXAMER NOVO NORDISK A/S (DK) 2003-04-03 — — 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 (4 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-20060258561-A1 Novel NPH insulin preparations IAPP, HBB, INSR KMT2A 4399/4885MEN1 680/4885HPGD 3521/4885
US-20060069013-A1 Pharmaceutical preparations comprising acid-stabilised insulin IAPP, GPR119, INSR KMT2A 4638/4885MEN1 395/4885HPGD 2233/4885
US-20050065066-A1 comprising insulin and novel ligands for the HisB10 Zn2+ sites of the R-state insulin hexamer; physical and chemical stability IAPP, IRS1, INSR KMT2A 4420/4885MEN1 299/4885HPGD 4068/4885
US-20090123563-A1 Pharmaceutical Preparations Comprising Insulin, Zinc Ions and Zinc-Binding Ligand IAPP, IRS1, HBB KMT2A 4327/4885MEN1 912/4885HPGD 3478/4885

“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.