SCHEMBL171200

SCHEMBL171200

Cc1nc2c(s1)CCCC2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 3/20 0.54
FBP1 P09467 2/20 0.54
APOBEC3A P31941 1/20 0.54
APOBEC3G Q9HC16 1/20 0.54
ADRA2A P08913 4/20 0.46
ADRA2B P18089 4/20 0.46
ADRA2C P18825 4/20 0.46
TSHR P16473 2/20 0.44
NPC1 O15118 7/20 0.43
RAB9A P51151 7/20 0.43
SMN1; SMN2 Q16637 6/20 0.43
MAPT P10636 4/20 0.43
PKM P14618 3/20 0.43
GAA P10253 2/20 0.43
NFKB1 P19838 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
HSD17B10 Q99714 2/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 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
SCHEMBL24869474 0.98 APOBEC3A (0.57) PDK1FBP1APOBEC3AAPOBEC3GADRA2A
SCHEMBL11772242 0.98 APOBEC3A (0.57) PDK1FBP1APOBEC3AAPOBEC3GADRA2A
SCHEMBL13063686 0.98 APOBEC3A (0.57) PDK1FBP1APOBEC3AAPOBEC3GADRA2A
SCHEMBL12344114 0.98 APOBEC3A (0.57) PDK1FBP1APOBEC3AAPOBEC3GADRA2A
SCHEMBL2666128 0.95
SCHEMBL17339864 0.78 NPC1 (0.34) PDK1FBP1APOBEC3AAPOBEC3GNPC1
SCHEMBL17339862 0.78 PDE10A (0.35) PDK1FBP1APOBEC3AAPOBEC3GNPC1
SCHEMBL6436015 0.76 PDCD1 (0.36) PDK1FBP1APOBEC3AAPOBEC3GNPC1
SCHEMBL21451979 0.76 PDCD1 (0.36) PDK1FBP1APOBEC3AAPOBEC3G
Bromide SCHEMBL15021264 0.74 PDCD1 (0.35) PDK1FBP1APOBEC3AAPOBEC3G

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024137329-A1 METHODS FOR THE SYNTHESIS OF COMPLEMENT FACTOR D INHIBITORS AND INTERMEDIATES THEREOF ALEXION PHARMACEUTICALS, INC. (US) 2024-06-27 WO disclosed
WO-2024110392-A1 NEW NUCLEIC ACID BINDING COMPOUNDS AND USES bioMérieux (FR) 2024-05-30 WO disclosed
US-20230218597-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-07-13 US disclosed
WO-2023114198-A2 METHODS FOR THE SYNTHESIS OF COMPLEMENT FACTOR D INHIBITORS ALEXION PHARMACEUTICALS, INC. (US) 2023-06-22 WO disclosed
WO-2023114200-A2 METHODS FOR THE SYNTHESIS OF COMPLEMENT FACTOR D INHIBITORS AND INTERMEDIATES THEREOF ALEXION PHARMACEUTICALS, INC. (US) 2023-06-22 WO disclosed
WO-2023076237-A1 COMPOUNDS AS GLP-1R AGONISTS TERNS PHARMACEUTICALS, INC. (US) 2023-05-04 WO disclosed
US-11572356-B2 Biaryl inhibitors of Bruton's tyrosine kinase BIOGEN MA INC. (US) 2023-02-07 US disclosed
WO-2022129925-A1 NOVEL BIFUNCTIONAL MOLECULES FOR TARGETED PROTEIN DEGRADATION AMPHISTA THERAPEUTICS LIMITED (GB) 2022-06-23 WO disclosed
WO-2022076629-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed
EP-3253745-B1 COMPOUNDS CONTAINING CARBON-CARBON LINKER AS GPR120 AGONISTS PIRAMAL ENTPR LTD (IN) 2021-09-29 EP disclosed
US-20070054897-A1 1,1-Dicyclohexyl-3-thiazol-2-yl-urea, 3-(5-Chloro-thiazol-2-yl)-1,1-dicyclohexyl-urea, for example; useful for the management, treatment, control, or adjunct treatment of diseases, where increasing glucokinase activity is beneficial, in particular, type 2 diabetes NOVO NORDISK A/S (DK) 2007-03-08 US disclosed
WO-2007026959-A2 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 WO disclosed
US-20070054897-A1 1,1-Dicyclohexyl-3-thiazol-2-yl-urea, 3-(5-Chloro-thiazol-2-yl)-1,1-dicyclohexyl-urea, for example; useful for the management, treatment, control, or adjunct treatment of diseases, where increasing glucokinase activity is beneficial, in particular, type 2 diabetes NOVO NORDISK A/S (DK) 2007-03-08 US disclosed
US-7157585-B2 Serine protease inhibitors TULARIK LIMITED (GB) 2007-01-02 US disclosed
WO-2004002481-A1 ARYL CARBONYL DERIVATIVES AS THERAPEUTIC AGENTS NOVO NORDISK A/S (DK) 2004-01-08 WO disclosed
EP-0433854-B1 3-Aminopyrazolo heterocycles, their use for the determination of hydrogen peroxide, hydrogen peroxide forming systems, peroxidase, peroxidant active substances or electron rich aromatic compounds, corresponding determination process and agents BOEHRINGER MANNHEIM GMBH (DE) 1997-06-18 EP disclosed
US-5457200-A Oxidative coupling reactions for determination of hydrogen peroxide BOEHRINGER MANNHEIM (DE) 1995-10-10 US disclosed
US-5234818-A Detecting hydrogen peroxide, peroxidase by oxidative coupling with electron-rich aromatic compound BOEHRINGER MANNHEIM GMBH (DE) 1993-08-10 US disclosed
EP-0433854-A2 3-Aminopyrazolo heterocycles, their use for the determination of hydrogen peroxide, hydrogen peroxide forming systems, peroxidase, peroxidant active substances or electron rich aromatic compounds, corresponding determination process and agents Roche Diagnostics GmbH (DE) 1991-06-26 EP disclosed
US-3961952-A ELECTROPHOTOGRAPHY, SUPPORTS, COATINGS ITEK CORPORATION (US) 1976-06-08 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 (3 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-11572356-B2 Biaryl inhibitors of Bruton's tyrosine kinase ABL1, BTK, LYN PDK1 1587/4885FBP1 2869/4885APOBEC3A 1071/4885
US-20070054897-A1 1,1-Dicyclohexyl-3-thiazol-2-yl-urea, 3-(5-Chloro-thiazol-2-yl)-1,1-dicyclohexyl-urea, for example; useful for the management, treatment, control, or adjunct treatment of diseases, where increasing glucokinase activity is beneficial, in particular, type 2 diabetes GCK, GCKR, HK1 PDK1 47/4885FBP1 81/4885APOBEC3A 3841/4885
US-20230218597-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE ALK, ACVR1, ACVR2A PDK1 1110/4885FBP1 1724/4885APOBEC3A 4124/4885

“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.