Sugi Predict

Sugi Predict / Compounds / SCHEMBL1012344

SCHEMBL1012344

SCHEMBL1012344

[NH]c1n[nH]c2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.58
▸ GAA P10253 2/20 0.58
▸ PDPK1 O15530 1/20 0.58
▸ CYP3A4 P08684 1/20 0.58
▸ IDO1 P14902 3/20 0.54
▸ ALDH1A1 P00352 3/20 0.54
▸ ALPL P05186 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ TTK P33981 1/20 0.54
▸ MAPK10 P53779 1/20 0.54
▸ CYP1A2 P05177 1/20 0.48
▸ LRRK2 Q5S007 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ YTHDC1 Q96MU7 1/20 0.43
▸ FGFR1 P11362 1/20 0.43
▸ FLT1 P17948 1/20 0.43
▸ AURKA O14965 1/20 0.43
▸ ITK Q08881 1/20 0.43

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
SCHEMBL3362964 0.76 KDM4E (0.58) KDM4EGAAPDPK1CYP3A4IDO1
SCHEMBL1672674 0.75 IDO1 (0.78) KDM4EGAAPDPK1CYP3A4IDO1
SCHEMBL9407409 0.73 KDM4E (0.60) KDM4EGAAPDPK1CYP3A4IDO1
SCHEMBL29481432 0.73 PDPK1 (1.00) KDM4EGAAPDPK1CYP3A4IDO1
SCHEMBL18878 0.73 PDPK1 (1.00) KDM4EGAAPDPK1CYP3A4IDO1
SCHEMBL8808348 0.73 ATM (0.57) KDM4EGAAALDH1A1HSD17B10
SCHEMBL962678 0.71 KDM4E (0.58) KDM4EGAAPDPK1CYP3A4IDO1
SCHEMBL61457 0.71 KDM4E (0.58) KDM4EGAAPDPK1CYP3A4IDO1
SCHEMBL130625 0.71 CYP1A2 (0.70) KDM4EGAAPDPK1CYP3A4IDO1
SCHEMBL6461006 0.71 KDM4E (0.58) KDM4EGAAPDPK1CYP3A4IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6908926-B1 Substituted imidazoles, their preparation and use NOVO NORDISK A/S (DK) 2005-06-21 — — US claimed
EP-4371979-A1 FORMAMIDE DERIVATIVE AND AGRICULTURAL OR HORTICULTURAL PLANT DISEASE CONTROL AGENT Kumiai Chemical Industry Co., Ltd. (JP) 2024-05-22 — — EP disclosed
WO-2023286855-A1 FORMAMIDE DERIVATIVE AND AGRICULTURAL OR HORTICULTURAL PLANT DISEASE CONTROL AGENT クミアイ化学工業株式会社 2023-01-19 — — WO disclosed
US-10738035-B2 Hepatitis B antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2020-08-11 — — US disclosed
US-10077254-B2 Tetrazolinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-09-18 — — US disclosed
EP-3059233-B1 TETRAZOLINONE COMPOUND AND APPLICATION FOR SAME SUMITOMO CHEMICAL CO (JP) 2017-12-20 — — EP disclosed
US-20160332996-A1 Hepatitis B Antiviral Agents ENANTA PHARMACEUTICALS, INC. 2016-11-17 — — US disclosed
WO-2016183266-A1 EHPATITIS B ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. (US) 2016-11-17 — — WO disclosed
US-20160272622-A1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-09-22 — — US disclosed
EP-3059233-A1 TETRAZOLINONE COMPOUND AND APPLICATION FOR SAME Sumitomo Chemical Company, Limited (JP) 2016-08-24 — — EP disclosed
EP-1442039-A1 PYRIMIDO (4,5-B) INDOLE DERIVATIVES Bayer HealthCare AG (DE) 2004-08-04 — — EP disclosed
US-20040110718-A1 Anti-HCV nucleoside derivatives DEVOS RENE (GB) 2004-06-10 — — US disclosed
WO-2002018404-A9 NUCLEOSIDE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C HOFFMANN LA ROCHE (CH) 2003-10-02 — — WO disclosed
EP-1315736-A2 NUCLEOSIDE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C F. HOFFMANN-LA ROCHE AG (CH) 2003-06-04 — — EP disclosed
WO-2003037898-A1 PYRIMIDO [4,5-B] INDOLE DERIVATIVES BAYER HEALTHCARE AG (DE) 2003-05-08 — — WO disclosed
US-20030008841-A1 Anti-HCV nucleoside derivatives F. HOFFMAN-LA ROCHE, A SWISS COMPANY (CH) 2003-01-09 — — US disclosed
WO-2002018404-A2 NUCLEOSIDE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C F. HOFFMANN-LA ROCHE AG (CH) 2002-03-07 — — WO disclosed
US-5795887-A Method of inducing cholecystokinin agonist activity using 1,4- Benzodiazepine compounds GLAXO WELLCOME INC. (US) 1998-08-18 — — US disclosed
EP-0755394-A1 A METHOD OF INDUCING CHOLECYSTOKININ AGONIST ACTIVITY USING 1,4-BENZODIAZEPINE COMPOUNDS GLAXO WELLCOME INC. (US) 1997-01-29 — — EP disclosed
WO-1995028399-A1 A METHOD OF INDUCING CHOLECYSTOKININ AGONIST ACTIVITY USING 1,4-BENZODIAZEPINE COMPOUNDS GLAXO WELLCOME INC. (US) 1995-10-26 — — 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 (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-20030008841-A1 Anti-HCV nucleoside derivatives PNP, HAVCR2, NUDT14 KDM4E 3323/4885GAA 660/4885PDPK1 1666/4885
US-10077254-B2 Tetrazolinone compound and use thereof MT-CO1, UQCRB, MT-CO2 KDM4E 2469/4885GAA 3319/4885PDPK1 2992/4885
US-20040110718-A1 Anti-HCV nucleoside derivatives PNP, HAVCR2, NUDT14 KDM4E 3323/4885GAA 660/4885PDPK1 1666/4885
US-10738035-B2 Hepatitis B antiviral agents ZC3HAV1, ZC3HAV1L, HAVCR2 KDM4E 1390/4885GAA 502/4885PDPK1 3669/4885
US-20160272622-A1 TETRAZOLINONE COMPOUND AND USE THEREOF MT-CO1, UQCRB, MT-CO2 KDM4E 2469/4885GAA 3319/4885PDPK1 2992/4885
US-20160332996-A1 Hepatitis B Antiviral Agents ZC3HAV1, ZC3HAV1L, HAVCR2 KDM4E 1390/4885GAA 502/4885PDPK1 3669/4885

“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.