SCHEMBL112755

SCHEMBL112755

NCc1c(Cl)cccc1Oc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 1.00
MAPT P10636 2/20 0.54
LMNA P02545 2/20 0.54
POLB P06746 1/20 0.54
SMOX Q9NWM0 2/20 0.51
KDM1A O60341 1/20 0.51
RCOR1 Q9UKL0 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.49
HRH1 P35367 1/20 0.49
FABP3 P05413 1/20 0.48
FABP4 P15090 1/20 0.48
GAA P10253 1/20 0.46
ALDH1A1 P00352 3/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
RHEB Q15382 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
SCHEMBL16814910 0.86 DPP4 (0.76) DPP4MAPTLMNAPOLBSMOX
SCHEMBL7765693 0.81 DPP4 (0.69) DPP4MAPTLMNAPOLBSMOX
SCHEMBL1191734 0.81 DPP4 (0.69) DPP4MAPTLMNAPOLBSMOX
SCHEMBL14382784 0.81 DPP4 (0.69) DPP4MAPTLMNAPOLBSMOX
SCHEMBL4209149 0.79 DPP4 (0.66) DPP4LMNAKDM1AHRH1GAA
SCHEMBL6055484 0.79 DPP4 (0.66) DPP4LMNASMOXKDM1ARCOR1
SCHEMBL1472123 0.78 MAPT (0.66) DPP4MAPTLMNAPOLBL3MBTL1
SCHEMBL921762 0.78 DPP4 (0.64) DPP4
SCHEMBL27575645 0.78 DPP4 (0.64) DPP4MAPTLMNAHRH1GAA
SCHEMBL3790160 0.78 DPP4 (0.62) DPP4MAPTLMNAPOLBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP claimed
US-12049461-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections GILEAD SCIENCES, INC. (US) 2024-07-30 US disclosed
US-20210276988-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2021-09-09 US disclosed
US-10882851-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections GILEAD SCIENCES, INC. (US) 2021-01-05 US disclosed
US-20160257673-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2016-09-08 US disclosed
US-9296697-B2 Hetaryl-substituted guanidine compounds and use thereof as binding partners for 5-HT5-receptors ABBOTT LABORATORIES (US) 2016-03-29 US disclosed
US-9259426-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections GILEAD SCIENCES, INC. (US) 2016-02-16 US disclosed
US-8809365-B2 1-substituted 2-azabicyclo [3.1.1] heptyl derivatives useful as nicotinic acetylcholine receptor modulators for treating neurologic disorders UNIVERSITEIT GENT (BE) 2014-08-19 US disclosed
US-8673929-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives and pharmaceutical compositions useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-03-18 US disclosed
US-8541406-B2 Thiadiazole derivatives for the treatment of neurodegenerative diseases NV REMYND (BE) 2013-09-24 US disclosed
US-20030135056-A1 Imidazole compounds HIGH POINT PHARMACEUTICALS, LLC 2003-07-17 US disclosed
EP-1326865-A2 AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2003-07-16 EP disclosed
US-20030055071-A1 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors MERCK SHARP & DOHME CORP. 2003-03-20 US disclosed
EP-0789577-B1 SYNTHESIS OF N-SUBSTITUTED OLIGOMERS CHIRON CORP (US) 2003-03-12 EP disclosed
EP-1268484-A1 CONDENSED IMIDAZOLES AS HISTAMINE H3 RECEPTOR LIGANDS NOVO NORDISK A/S (DK) 2003-01-02 EP disclosed
US-6437147-B1 FOR THERAPY OF DISEASES OF CENTRAL NERVOUS SYSTEM, PERIPHERAL NERVOUS SYSTEM, CARDIOVASCULAR SYSTEM, PULMONARY SYSTEM, GASTROINTESTINAL SYSTEM AND ENDOCRINOLOGICAL SYSTEM NOVO NORDISK (DK) 2002-08-20 US disclosed
US-20020058659-A1 Imidazole compounds HIGH POINT PHARMACEUTICALS, LLC 2002-05-16 US disclosed
WO-2002030930-A2 AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2002-04-18 WO disclosed
WO-2001068652-A1 CONDENSED IMIDAZOLES AS HISTAMINE H3 RECEPTOR LIGANDS NOVO NORDISK A/S (DK) 2001-09-20 WO disclosed
US-5877278-A SOLID PHASE SYNTHESIS USING TWO SUBMONOMERS-AN ACYLATING AGENT, E.G. A HALOACETIC ACID, AND A PRIMARY AMINE; CYCLIZATION TO PRODUCE MIMETICS OF DRUGS; ELIMINATION OF THE NECESSITY OF PROTECTION GROUPS CHIRON CORPORATION (US) 1999-03-02 US 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 (7 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-12049461-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections NR3C1, NR3C2, NR4A1 DPP4 383/4885MAPT 4544/4885LMNA 2251/4885
US-20030135056-A1 Imidazole compounds HRH3, HRH4, HRH2 DPP4 1083/4885MAPT 1175/4885LMNA 4098/4885
US-20210276988-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR4A1 DPP4 383/4885MAPT 4544/4885LMNA 2251/4885
US-20020058659-A1 Imidazole compounds HRH3, HRH4, HRH2 DPP4 1083/4885MAPT 1175/4885LMNA 4098/4885
US-20030055071-A1 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors POLI, DUT, NAAA DPP4 427/4885MAPT 2944/4885LMNA 1649/4885
US-10882851-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections NR3C1, NR3C2, NR5A2 DPP4 520/4885MAPT 4472/4885LMNA 2425/4885
US-20160257673-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR5A2 DPP4 520/4885MAPT 4472/4885LMNA 2425/4885

“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.