SCHEMBL12686295

SCHEMBL12686295

NCc1ccc2nn[nH]c2c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
RAD52 P43351 1/20 0.37
UBE2N P61088 1/20 0.37
LOXL2 Q9Y4K0 4/20 0.33
NPBWR1 P48145 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
LOX P28300 1/20 0.33
LOXL3 P58215 1/20 0.33
ROCK1 Q13464 1/20 0.33
NT5E P21589 1/20 0.32
AKT2 P31751 1/20 0.32
CYP2A6 P11509 1/20 0.32
PNMT P11086 1/20 0.31
ENPP2 Q13822 1/20 0.31
ST14 Q9Y5Y6 1/20 0.31
ABAT P80404 1/20 0.31

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
SCHEMBL263592 0.85 GAA (0.42) GAAPKMLOXL2HRH3LOX
Hydrochloric Acid SCHEMBL7214713 0.83 GAA (0.44) GAAPKMLOXL2HRH3LOX
SCHEMBL318089 0.81 KIF11 (0.41) GAARAD52NPBWR1CYP2A6
SCHEMBL10640127 0.81 CBFB (0.41)
SCHEMBL24214987 0.81 RAD52 (0.30) RAD52UBE2N
SCHEMBL14208120 0.78 CNR1 (0.39) RAD52UBE2NNPBWR1
SCHEMBL24960591 0.77 ESR1 (0.37)
SCHEMBL13625536 0.77 GABRA1 (0.40)
SCHEMBL31229543 0.75 KDM4E (0.49) GAA
SCHEMBL10102945 0.75 KDM4E (0.49) GAA

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208951-A1 A PROCESS FOR PREPARING NAVAFENTEROL AND INTERMEDIATES THEREOF GBR LABORATORIES PRIVATE LIMITED (IN) 2024-06-27 US disclosed
US-20240208951-A1 A PROCESS FOR PREPARING NAVAFENTEROL AND INTERMEDIATES THEREOF GBR LABORATORIES PRIVATE LIMITED (IN) 2024-06-27 US disclosed
US-20240208951-A1 A PROCESS FOR PREPARING NAVAFENTEROL AND INTERMEDIATES THEREOF GBR LABORATORIES PRIVATE LIMITED (IN) 2024-06-27 US disclosed
US-20210094940-A1 MODULATORS OF ROR-GAMMA VITAE PHARMACEUTICALS, LLC 2021-04-01 US disclosed
US-10829481-B2 Benzimidazole derivatives as modulators of ROR-gamma VITAE PHARMACEUTICALS, LLC (US) 2020-11-10 US disclosed
US-20190352286-A1 BENZIMIDAZOLE DERIVATIVES AS MODULATORS OF ROR-GAMMA VITAE PHARMACEUTICALS, LLC 2019-11-21 US disclosed
WO-2017132432-A1 BENZIMIDAZOLE DERIVATIVES AS MODULATORS OF ROR-GAMMA VITAE PHARMACEUTICALS, INC. (US) 2017-08-03 WO disclosed
WO-2016144704-A2 HETEROCYCLIC AUTOTAXIN INHIBITOR COMPOUNDS PHARMAKEA, INC. (US) 2016-09-15 WO disclosed
WO-2012101453-A1 PROTEASE ACTIVATED RECEPTOR 2 (PAR2) ANTAGONISTS PROXIMAGEN LTD. (GB) 2012-08-02 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 (4 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-20190352286-A1 BENZIMIDAZOLE DERIVATIVES AS MODULATORS OF ROR-GAMMA RORB, RORC, RORA GAA 568/4885PKM 998/4885RAD52 4681/4885
US-10829481-B2 Benzimidazole derivatives as modulators of ROR-gamma RORB, RORC, RORA GAA 370/4885PKM 989/4885RAD52 4628/4885
US-20240208951-A1 A PROCESS FOR PREPARING NAVAFENTEROL AND INTERMEDIATES THEREOF CYP4A11, CYP4F11, XDH GAA 2592/4885PKM 279/4885RAD52 4301/4885
US-20210094940-A1 MODULATORS OF ROR-GAMMA RORC, RORB, RORA GAA 628/4885PKM 2364/4885RAD52 4738/4885

“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.