SCHEMBL19002838

SCHEMBL19002838

CNCc1nc(C2CC2)no1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
HSD11B1 P28845 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
GAA P10253 1/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
LMNA P02545 1/20 0.37
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
LDHA P00338 2/20 0.35
GABRA5 P31644 1/20 0.35
AKR1C4 P17516 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
AKR1C1 Q04828 1/20 0.34
PDE10A Q9Y233 2/20 0.34
HDAC1 Q13547 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
SCHEMBL12904494 0.82 POLB (0.42) POLBL3MBTL1HSD11B1MEN1KMT2A
SCHEMBL12888923 0.81 HSD11B1 (0.43) POLBL3MBTL1HSD11B1MEN1KMT2A
SCHEMBL18997875 0.81 POLB (0.44) POLBL3MBTL1HSD11B1MEN1KMT2A
SCHEMBL10120678 0.79 POLB (0.47) POLBL3MBTL1HSD11B1MEN1KMT2A
SCHEMBL13721980 0.76 MAP4K4 (0.35) POLBHSD11B1MEN1KMT2AGAA
SCHEMBL13722365 0.75 LDHA (0.42) POLBHSD11B1GAALMNALDHA
SCHEMBL440391 0.75 L3MBTL1 (0.43) POLBL3MBTL1HSD11B1MEN1KMT2A
SCHEMBL15912643 0.75 L3MBTL1 (0.47) POLBL3MBTL1HSD11B1MEN1KMT2A
SCHEMBL28956020 0.75 POLB (0.43) POLBL3MBTL1HSD11B1MEN1KMT2A
SCHEMBL19745592 0.75 L3MBTL1 (0.43) POLBL3MBTL1HSD11B1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3468967-B1 COMPOUNDS CONTAINING BENZO[D][1,3]OXATHIOLE, BENZO[D][1,3]OXATHIOLE 3-OXIDE OR BENZO[D][1,3]OXATHIOLE 3,3-DIOXIDE AND METHODS/USES THEREOF AS AGONISTS OF G PROTEIN-COUPLED RECEPTOR 119 PRAMANA PHARMACEUTICALS INC (CA) 2023-07-26 EP disclosed
EP-3394056-B1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC (US) 2021-04-14 EP disclosed
US-10870657-B2 Compounds for the treatment of cancer and inflammatory disease SHY Therapeutics LLC (US) 2020-12-22 US disclosed
US-20190218229-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMTORY DISEASE SHY Therapeutics LLC 2019-07-18 US disclosed
WO-2017112777-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC (US) 2017-06-29 WO disclosed
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC 2017-06-22 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 (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-20190218229-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMTORY DISEASE MAPK1, MAPK6, MAP3K1 POLB 1722/4885L3MBTL1 4409/4885HSD11B1 935/4885
US-10870657-B2 Compounds for the treatment of cancer and inflammatory disease MAPK6, MAP3K6, MAPK4 POLB 1589/4885L3MBTL1 4204/4885HSD11B1 1215/4885
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE MAPK6, MAP3K6, MAPK4 POLB 1589/4885L3MBTL1 4204/4885HSD11B1 1215/4885

“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.