SCHEMBL10164882

SCHEMBL10164882

N#Cc1ccnc(OC(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 4/20 0.43
HCRTR1 O43613 3/20 0.39
ACACB O00763 2/20 0.39
MGLL Q99685 1/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
GRM5 P41594 2/20 0.36
CLK4 Q9HAZ1 1/20 0.36
CYP2D6 P10635 2/20 0.36
KCNH2 Q12809 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
EGLN2 Q96KS0 1/20 0.35
TDP2 O95551 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
HRH4 Q9H3N8 1/20 0.33
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33

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
SCHEMBL6247699 0.86 ACACB (0.37) HCRTR2HCRTR1ACACBMGLLCYP11B1
SCHEMBL3924934 0.82 ACACB (0.47) HCRTR2HCRTR1ACACBMGLLGRM5
SCHEMBL22637463 0.79 MGLL (0.39) HCRTR2HCRTR1ACACBMGLLCYP11B1
SCHEMBL30117145 0.79 CYP11B1 (0.41) HCRTR2HCRTR1ACACBMGLLCYP11B1
SCHEMBL25417413 0.79 CYP11B1 (0.41) HCRTR2HCRTR1ACACBMGLLCYP11B1
SCHEMBL29867993 0.76 LOX (0.47) HCRTR2HCRTR1ACACBGRM5CLK4
SCHEMBL447719 0.76 LOX (0.47) HCRTR2HCRTR1ACACBGRM5CLK4
SCHEMBL4321088 0.74 KDM4E (0.40) ACACBCYP11B1CYP11B2
SCHEMBL25259201 0.74 JAK2 (0.35) HCRTR2HCRTR1ACACBMGLLCYP11B1
SCHEMBL27958617 0.73 GRM4 (0.39) HCRTR2HCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303486-A1 CYCLOBUTYL-UREA DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2023-09-28 US disclosed
US-20230136562-A1 SPIROUREA DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2023-05-04 US disclosed
EP-4172140-A1 CYCLOBUTYL-UREA DERIVATIVES Idorsia Pharmaceuticals Ltd (CH) 2023-05-03 EP disclosed
EP-4143165-A1 SPIROUREA DERIVATIVES Idorsia Pharmaceuticals Ltd (CH) 2023-03-08 EP disclosed
CN-115702141-A Cyclobutyl-urea derivatives 爱杜西亚药品有限公司 2023-02-14 CN disclosed
CN-115461327-A Spiro urea derivatives 爱杜西亚药品有限公司 2022-12-09 CN disclosed
WO-2021260090-A1 CYCLOBUTYL-UREA DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2021-12-30 WO disclosed
WO-2021219594-A1 SPIROUREA DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2021-11-04 WO disclosed
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2012-01-19 US disclosed
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2012-01-19 US disclosed
US-7795245-B2 Heterobicyclic metalloprotease inhibitors Atlantos Pharmaceuticals Holding, Inc. (US) 2010-09-14 US disclosed
US-7795245-B2 Heterobicyclic metalloprotease inhibitors Atlantos Pharmaceuticals Holding, Inc. (US) 2010-09-14 US disclosed
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-12-17 US disclosed
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-12-17 US disclosed
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2009-05-28 US disclosed
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2009-05-28 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 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-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors MMP13, TIMP3, MMP3 HCRTR2 4014/4885HCRTR1 4100/4885ACACB 556/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 HCRTR2 4014/4885HCRTR1 4100/4885ACACB 556/4885
US-20230303486-A1 CYCLOBUTYL-UREA DERIVATIVES KCNA4, KCNMB4, KCNA7 HCRTR2 1838/4885HCRTR1 1798/4885ACACB 3648/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 HCRTR2 4014/4885HCRTR1 4100/4885ACACB 556/4885
US-20230136562-A1 SPIROUREA DERIVATIVES KCNA7, PKD2, KCNN3 HCRTR2 2080/4885HCRTR1 1510/4885ACACB 3931/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 HCRTR2 4014/4885HCRTR1 4100/4885ACACB 556/4885

“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.