SCHEMBL17777940

SCHEMBL17777940

CCOC(=O)Cc1c(C(C)(C)C#N)c(-c2ccc(F)cc2)nn1Cc1ccc(OC)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 1/20 0.40
MAPT P10636 2/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.38
ASIC1 P78348 1/20 0.38
PTGS2 P35354 1/20 0.38
KLK7 P49862 1/20 0.37
PKM P14618 1/20 0.36
ACHE P22303 1/20 0.36
GAA P10253 1/20 0.36
MET P08581 1/20 0.35

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
SCHEMBL17777923 0.84 ASIC1 (0.40) MAPTMEN1KMT2ASMN1; SMN2ASIC1
SCHEMBL17777971 0.82 KCNK3 (0.39) KCNK3MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL17777906 0.80 MET (0.41) KCNK3MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL17777763 0.78 ALDH1A1 (0.44) MAPTMEN1KMT2APTGDR2PKM
SCHEMBL19702816 0.75 PTGDR2 (0.40) MEN1KMT2ASMN1; SMN2PTGDR2KLK7
SCHEMBL17777970 0.72 MET (0.41) KCNK3MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL17777908 0.69 ASIC1 (0.37) KCNK3MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL19711705 0.68 KCNK3 (0.40) KCNK3MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL19702818 0.67 PTGDR2 (0.40) MEN1KMT2ASMN1; SMN2PTGDR2PTGS2
SCHEMBL25225321 0.66 MAPT (0.44) MAPTMEN1KMT2APTGDR2PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183247-A1 FUSED BICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE AKARNA THERAPEUTICS LTD (GB) 2023-06-15 US disclosed
US-10233187-B2 Fused bicyclic compounds for the treatment of disease AKARNA THERAPEUTICS, LTD. (GB) 2019-03-19 US disclosed
US-20170355699-A1 FUSED BICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE ABBVIE INC. 2017-12-14 US disclosed
US-20170355699-A1 FUSED BICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE ABBVIE INC. 2017-12-14 US disclosed
WO-2016081918-A1 FUSED BICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE AKARNA THERAPEUTICS, LTD. (GB) 2016-05-26 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 (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-20170355699-A1 FUSED BICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE VHL, BRDT, PAICS KCNK3 4151/4885MAPT 982/4885MEN1 285/4885
US-20230183247-A1 FUSED BICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE VHL, BRDT, PAICS KCNK3 4151/4885MAPT 982/4885MEN1 285/4885
US-10233187-B2 Fused bicyclic compounds for the treatment of disease SLC10A1, VHL, GBA1 KCNK3 2830/4885MAPT 90/4885MEN1 302/4885

“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.