SCHEMBL172067

SCHEMBL172067

Nc1nc2c(s1)CNCC2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 1/20 0.52
APOBEC3G Q9HC16 1/20 0.52
DRD2 P14416 5/20 0.42
RAD52 P43351 2/20 0.41
RECQL P46063 1/20 0.41
DRD3 P35462 5/20 0.39
MAPT P10636 3/20 0.39
ADRA2A P08913 3/20 0.39
LMNA P02545 2/20 0.39
ADRA2B P18089 2/20 0.39
ADRA2C P18825 2/20 0.39
HTR2A P28223 2/20 0.39
ADRA1A P35348 2/20 0.39
HRH1 P35367 2/20 0.39
OPRK1 P41145 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
HDAC2 Q92769 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38

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 SCHEMBL15775161 0.98 APOBEC3A (0.50) APOBEC3AAPOBEC3GDRD2RAD52RECQL
Hydrochloric Acid SCHEMBL15240369 0.98 APOBEC3A (0.50) APOBEC3AAPOBEC3GDRD2RAD52RECQL
Hydrochloric Acid SCHEMBL1202789 0.98 APOBEC3A (0.50) APOBEC3AAPOBEC3GDRD2RAD52RECQL
Bromide SCHEMBL14990906 0.98 APOBEC3A (0.50) APOBEC3AAPOBEC3GDRD2RAD52RECQL
SCHEMBL12101179 0.89 APOBEC3A (0.58) APOBEC3AAPOBEC3GDRD2RAD52RECQL
Bromide SCHEMBL3309184 0.87 APOBEC3A (0.56) APOBEC3AAPOBEC3GDRD2RAD52RECQL
SCHEMBL3307726 0.86 APOBEC3A (0.59) APOBEC3AAPOBEC3GDRD2RAD52RECQL
Trifluoroacetic Acid SCHEMBL31143352 0.84 HDAC2 (0.42) APOBEC3AAPOBEC3GDRD2RAD52RECQL
Bromide SCHEMBL14990640 0.84 APOBEC3A (0.57) APOBEC3AAPOBEC3GDRD2RAD52RECQL
Bromide SCHEMBL7283805 0.84 APOBEC3A (0.57) APOBEC3AAPOBEC3GDRD2RAD52RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025073956-A1 STING ANTAGONIST COMPOUNDS SULIS THERAPEUTICS APS (DK) 2025-04-10 WO disclosed
EP-4534147-A1 STING ANTAGONIST COMPOUNDS Sulis Therapeutics ApS (DK) 2025-04-09 EP disclosed
CN-113382767-B Urea compounds having substituents 第一三共株式会社 2024-12-24 CN disclosed
US-12139498-B1 Positive allosteric modulators of the muscarinic acetylcholine receptor M4 VANDERBILT UNIVERSITY (US) 2024-11-12 US disclosed
US-20240368188-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2024-11-07 US disclosed
US-20240025924-A1 HETEROCYCLE SUBSTITUTED KETONE DERIVATIVE, AND COMPOSITION AND MEDICINAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2024-01-25 US disclosed
WO-2024010761-A1 C-MYC MRNA TRANSLATION MODULATORS AND USES THEREOF IN THE TREATMENT OF CANCER ANIMA BIOTECH INC. (US) 2024-01-11 WO disclosed
CN-116178361-A Preparation of piperidine bisoxadiazole and piperidine amino thiazole substituted antitumor curcumenol derivatives and application thereof in antitumor 华东理工大学 2023-05-30 CN disclosed
US-20230062975-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS SPRING MILL PHARMA, INC. 2023-03-02 US disclosed
US-20230052191-A1 NOVEL COMPOUNDS MISSION THERAPEUTICS LTD (GB) 2023-02-16 US disclosed
US-20040019079-A1 Beta3-Adrenoreceptor agonists, agonist compositions and methods of using FELLER DENNIS R (US) 2004-01-29 US disclosed
EP-1023269-A4 BETA3-ADRENORECEPTOR AGONISTS, AGONIST COMPOSITIONS AND METHODS OF USING MOLECULAR DESIGN INT (US) 2001-06-27 EP disclosed
EP-1023269-A1 BETA3-ADRENORECEPTOR AGONISTS, AGONIST COMPOSITIONS AND METHODS OF USING MOLECULAR DESIGN INTERNATIONAL, INC. (US) 2000-08-02 EP disclosed
WO-1999016752-A1 β3-ADRENORECEPTOR AGONISTS, AGONIST COMPOSITIONS AND METHODS OF USING MOLECULAR DESIGNS INTERNATIONAL, INC. (US) 1999-04-08 WO disclosed
EP-0321191-B1 Heterocyclic-substituted quinoline-carboxylic acids PFIZER (US) 1994-11-02 EP disclosed
US-5214051-A Thiazolyl and oxazolyl[5,4-c]piperidyl-substituted quinolone-carboxylic acid and related analogs thereof having antibacterial properties are disclosed PFIZER INC. (US) 1993-05-25 US disclosed
US-5037834-A Heterocycylic-substituted quinoline-carboxylic acids PFIZER INC. (US) 1991-08-06 US disclosed
WO-1989005643-A1 HETEROCYCLIC-SUBSTITUTED QUINOLINE-CARBOXYLIC ACIDS PFIZER INC. (US) 1989-06-29 WO disclosed
EP-0321191-A2 Heterocyclic-substituted quinoline-carboxylic acids PFIZER INC. (US) 1989-06-21 EP disclosed
US-4624956-A Ulcer and gastric secretion inhibiting 4,5,6,7-tetrahydrothiazole[5,4-c]pyridine derivatives FARMITALIA CARLO ERBA (IT) 1986-11-25 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 (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-20240025924-A1 HETEROCYCLE SUBSTITUTED KETONE DERIVATIVE, AND COMPOSITION AND MEDICINAL USE THEREOF BCKDK, CYP11B2, HSD17B7 APOBEC3A 2448/4885APOBEC3G 2724/4885DRD2 2312/4885
US-20230062975-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS HAVCR2, COPB1, HDLBP APOBEC3A 2278/4885APOBEC3G 2536/4885DRD2 4864/4885
US-20240368188-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM4, CHRM5, CHRM1 APOBEC3A 3913/4885APOBEC3G 3584/4885DRD2 190/4885
US-12139498-B1 Positive allosteric modulators of the muscarinic acetylcholine receptor M4 CHRM4, CHRM5, CHRM1 APOBEC3A 3867/4885APOBEC3G 3462/4885DRD2 197/4885
US-20230052191-A1 NOVEL COMPOUNDS UCHL1, UCHL3, UCHL5 APOBEC3A 2671/4885APOBEC3G 1936/4885DRD2 3354/4885
US-20040019079-A1 Beta3-Adrenoreceptor agonists, agonist compositions and methods of using ADRB3, ADRB1, ADRB2 APOBEC3A 1010/4885APOBEC3G 990/4885DRD2 678/4885

“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.