SCHEMBL3129653

SCHEMBL3129653

Cc1cnc(N(C)C)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.50
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 1/20 0.50
ALOX15 P16050 1/20 0.50
GRM5 P41594 2/20 0.45
HPGD P15428 3/20 0.42
APLNR P35414 1/20 0.41
CYP1A2 P05177 3/20 0.40
LMNA P02545 1/20 0.40
THRB P10828 1/20 0.40
BLM P54132 1/20 0.40
CREBBP Q92793 1/20 0.40
KCNH2 Q12809 1/20 0.38
CCR1 P32246 2/20 0.38
CCR5 P51681 2/20 0.38
CCR8 P51685 2/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CASP1 P29466 2/20 0.36
CASP7 P55210 2/20 0.36
TSHR P16473 2/20 0.36

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
SCHEMBL15600907 0.78 APLNR (0.38) HSD17B10ALDH1A1KDM4EALOX15HPGD
SCHEMBL13140977 0.76 NPSR1 (0.43) HSD17B10ALDH1A1KDM4EALOX15GRM5
SCHEMBL30775296 0.74 ALDH1A1 (0.48) HSD17B10ALDH1A1KDM4EALOX15GRM5
SCHEMBL1192959 0.74 APLNR (0.44) HSD17B10ALDH1A1KDM4EALOX15HPGD
SCHEMBL29294865 0.74 HSD17B10 (0.48) HSD17B10ALDH1A1KDM4EALOX15GRM5
SCHEMBL19276438 0.74 HSD17B10 (0.48) HSD17B10ALDH1A1KDM4EALOX15GRM5
SCHEMBL3129639 0.74 HSD17B10 (0.48) HSD17B10ALDH1A1KDM4EALOX15GRM5
SCHEMBL5132886 0.74 ALDH1A1 (0.48) HSD17B10ALDH1A1KDM4EALOX15GRM5
SCHEMBL4926690 0.74 HSD17B10 (0.54) HSD17B10ALDH1A1KDM4EALOX15GRM5
SCHEMBL14234049 0.72 ALDH1A1 (0.46) HSD17B10ALDH1A1KDM4EALOX15GRM5

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 164 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
US-20230203007-A1 PYRIDINYLACETAMIDE DERIVATIVES AS SODIUM CHANNEL ACTIVATORS X-CHEM GLOBAL HQ 2023-06-29 US disclosed
US-20230203007-A1 PYRIDINYLACETAMIDE DERIVATIVES AS SODIUM CHANNEL ACTIVATORS X-CHEM GLOBAL HQ 2023-06-29 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
US-20230119740-A1 THERAPEUTIC COMPOUNDS AND METHODS GENENTECH, INC. (US) 2023-04-20 US disclosed
WO-2023287793-A1 THERAPEUTIC COMPOUNDS AND METHODS GENENTECH, INC. (US) 2023-01-19 WO disclosed
WO-2021155264-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2021-08-05 WO disclosed
US-10865216-B2 Tricyclic Gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-12-15 US disclosed
US-10858360-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-12-08 US disclosed
US-20080009506-A1 Imidazole Compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-01-10 US disclosed
US-20080009506-A1 Imidazole Compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-01-10 US disclosed
US-7312209-B2 Acridone inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 US disclosed
US-20070281962-A2 Administering 1,2,3,6-tetrasubstituted pyrido[3,4-b]indoles to inhibit the 5'-untranslated region-dependent translation; anticarcinogenic agents; retinopathy, rheumatoid arthritis, psoriasis, atherosclerosis, obesity, macular degeneration PCT THERAPEUTICS, INC. (US) 2007-12-06 US disclosed
US-20070191447-A1 Novel heterocyclic compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-08-16 US disclosed
US-20070191447-A1 Novel heterocyclic compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-08-16 US disclosed
US-20070167440-A1 Novel pyrrolidine compound and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-07-19 US disclosed
US-20070167440-A1 Novel pyrrolidine compound and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-07-19 US disclosed
US-20070060629-A1 Large conductance calcium-activated k channel opener TANABE SEIYAKU CO., LTD. (JP) 2007-03-15 US disclosed
US-20070060629-A1 Large conductance calcium-activated k channel opener TANABE SEIYAKU CO., LTD. (JP) 2007-03-15 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 (9 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-20230119740-A1 THERAPEUTIC COMPOUNDS AND METHODS PCK1, SLC5A1, PFKFB1 HSD17B10 849/4885ALDH1A1 345/4885KDM4E 1568/4885
US-20070167440-A1 Novel pyrrolidine compound and a process for preparing the same CNR1, CNR2, OPRD1 HSD17B10 1741/4885ALDH1A1 2888/4885KDM4E 535/4885
US-20070191447-A1 Novel heterocyclic compound OPRD1, GRIN3A, GRM3 HSD17B10 276/4885ALDH1A1 1154/4885KDM4E 2970/4885
US-10858360-B2 Tricyclic gyrase inhibitors TOP1, TOP2A, TOP2B HSD17B10 356/4885ALDH1A1 1898/4885KDM4E 2371/4885
US-20070060629-A1 Large conductance calcium-activated k channel opener KCNN3, KCNN1, KCNN2 HSD17B10 3275/4885ALDH1A1 3603/4885KDM4E 722/4885
US-20080009506-A1 Imidazole Compound KCNH2, KCNJ2, KCNH3 HSD17B10 3428/4885ALDH1A1 2945/4885KDM4E 324/4885
US-20230203007-A1 PYRIDINYLACETAMIDE DERIVATIVES AS SODIUM CHANNEL ACTIVATORS SCN1A, SCN3A, SCN2A HSD17B10 3346/4885ALDH1A1 1110/4885KDM4E 2085/4885
US-20070281962-A2 Administering 1,2,3,6-tetrasubstituted pyrido[3,4-b]indoles to inhibit the 5'-untranslated region-dependent translation; anticarcinogenic agents; retinopathy, rheumatoid arthritis, psoriasis, atherosclerosis, obesity, macular degeneration VEGFA, FLT4, MIF HSD17B10 3576/4885ALDH1A1 1537/4885KDM4E 797/4885
US-10865216-B2 Tricyclic Gyrase inhibitors TOP1, TOP2A, TOP2B HSD17B10 404/4885ALDH1A1 1726/4885KDM4E 2335/4885

“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.