SCHEMBL61095

SCHEMBL61095

CNC1CCCc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.79
HTT P42858 3/20 0.55
LMNA P02545 2/20 0.55
ALDH1A1 P00352 4/20 0.54
TAS1R3 Q7RTX0 2/20 0.54
TAS1R1 Q7RTX1 2/20 0.54
TAS1R2 Q8TE23 1/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
EPHX1 P07099 1/20 0.53
ADRA2A P08913 1/20 0.51
ADRA2B P18089 1/20 0.51
ADRA2C P18825 1/20 0.51
ADRA1A P35348 1/20 0.51
HSD17B10 Q99714 1/20 0.50
KDM4E B2RXH2 1/20 0.50

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
SCHEMBL29453898 1.00 PDPK1 (0.79) PDPK1HTTLMNAALDH1A1TAS1R3
SCHEMBL30142522 1.00 PDPK1 (0.79) PDPK1HTTLMNAALDH1A1TAS1R3
SCHEMBL61094 1.00 PDPK1 (0.79) PDPK1HTTLMNAALDH1A1TAS1R3
SCHEMBL61380 1.00 PDPK1 (0.79) PDPK1HTTLMNAALDH1A1TAS1R3
Hydrochloric Acid SCHEMBL31126266 0.98 PDPK1 (0.76) PDPK1HTTLMNAALDH1A1TAS1R3
Hydrochloric Acid SCHEMBL5795775 0.98 PDPK1 (0.76) PDPK1HTTLMNAALDH1A1TAS1R3
SCHEMBL2465738 0.88 PDPK1 (1.00) PDPK1ADRA2AADRA2BADRA2CADRA1A
SCHEMBL61508 0.88 PDPK1 (1.00) PDPK1ADRA2AADRA2BADRA2CADRA1A
SCHEMBL14612385 0.88 PDPK1 (1.00) PDPK1ADRA2AADRA2BADRA2CADRA1A
SCHEMBL61509 0.88 PDPK1 (1.00) PDPK1ADRA2AADRA2BADRA2CADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2076489-A1 ARYLSULFONAMIDYL TETRALIN DERIVATIVES AND USES THEREOF F. Hoffmann-Roche AG (CH) 2009-07-08 EP claimed
US-20080200454-A1 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. 2008-08-21 US claimed
WO-2008100618-A2 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. (US) 2008-08-21 WO claimed
WO-2007147762-A1 ARYLSULFONAMIDYL TETRALIN DERIVATIVES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2007-12-27 WO claimed
EP-1631570-A1 NAPHTHYRIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS Abbott Laboratories (US) 2006-03-08 EP claimed
WO-2004083207-A1 NAPHTHYRIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS ABBOTT LABORATORIES (US) 2004-09-30 WO claimed
US-20030232818-A1 Antibacterial compounds ABBVIE INC. 2003-12-18 US claimed
WO-2024145483-A1 COMPOUNDS FOR USE IN THE TREATMENT OF CANCER AND METHODS OF MAKING AND USING THE SAME HTG MOLECULAR DIAGNOSTICS, INC. (US) 2024-07-04 WO disclosed
US-20230276802-A1 Method for Controlling Hematophagous or Sap-Feeding Arthropods BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSTIY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2023-09-07 US disclosed
US-11632953-B2 Method for controlling hematophagous or sap-feeding arthropods BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2023-04-25 US disclosed
US-11597727-B2 Inhibitors of integrin alpha 2 beta 1 and methods of use THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-03-07 US disclosed
CN-109843379-B Substituted ureas and methods of making and using the same 梅比斯发现公司 2022-12-30 CN disclosed
US-20220315567-A1 Substituted Ureas and Methods of Making and Using Same MEBIAS DISCOVERY, INC. 2022-10-06 US disclosed
US-4948806-A N-2,6-DIALKYL-OR N-2,6-DIALKOXYPHENYL-N'-ARYLALKYLUREA WARNER-LAMBERT COMPANY (US) 1990-08-14 US disclosed
EP-0335375-A2 Antihyperlipidemic and antiatherosclerotic compounds and compositions WARNER-LAMBERT COMPANY (US) 1989-10-04 EP disclosed
US-4868210-A PHENYL UREAS AND PHENYL THIOUREAS WARNER-LAMBERT COMPANY (US) 1989-09-19 US disclosed
US-4089976-A Synthesis of 1,2,3,4-tetrahydro-4-oxo-[or oxy-]-1-naphthylureas as novel growth-promoting compounds for animals AMERICAN CYANAMID COMPANY (US) 1978-05-16 US disclosed
US-4062856-A ANIMAL GROWTH REGULATOR, HERBICIDE AMERICAN CYANAMID CO. (US) 1977-12-13 US disclosed
US-4005140-A ANIMAL GROWTH REGULATORS, HERBICIDES AMERICAN CYANAMID COMPANY (US) 1977-01-25 US disclosed
US-3953506-A ANIMAL GROWTH REGULATORS, HERBICIDES AMERICAN CYANAMID COMPANY (US) 1976-04-27 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-11597727-B2 Inhibitors of integrin alpha 2 beta 1 and methods of use ITGB1, ITGB2, ITGA2 PDPK1 2457/4885HTT 4866/4885LMNA 2182/4885
US-11632953-B2 Method for controlling hematophagous or sap-feeding arthropods KCNN1, KCNN2, KCNN3 PDPK1 885/4885HTT 3280/4885LMNA 4713/4885
US-20030232818-A1 Antibacterial compounds PGLS, UGT1A1, CASP1 PDPK1 1998/4885HTT 4675/4885LMNA 2661/4885
US-20080200454-A1 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S CTSS, CTSK, CTSZ PDPK1 772/4885HTT 2282/4885LMNA 3515/4885
US-20220315567-A1 Substituted Ureas and Methods of Making and Using Same UMPS, METTL3, UTS2R PDPK1 4856/4885HTT 316/4885LMNA 1718/4885
US-20230276802-A1 Method for Controlling Hematophagous or Sap-Feeding Arthropods KCNN1, KCNN2, KCNN3 PDPK1 885/4885HTT 3280/4885LMNA 4713/4885

“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.