SCHEMBL22964334

SCHEMBL22964334

CSc1cccc(OCc2cccnc2)c1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.53
GPR132 Q9UNW8 13/20 0.50
HTR1A P08908 1/20 0.48
DRD2 P14416 1/20 0.48
GRM2 Q14416 1/20 0.47
MAOA P21397 1/20 0.46
DYRK1A Q13627 1/20 0.46
CMKLR2 P46091 1/20 0.46
CMKLR1 Q99788 1/20 0.46

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
SCHEMBL28011530 0.85 MAPK1 (0.64) MAPK1GPR132HTR1ADRD2GRM2
SCHEMBL8361591 0.84 MAPK1 (0.52) MAPK1GPR132HTR1ADRD2MAOA
SCHEMBL22964333 0.84 NOS3 (0.51) MAPK1GPR132MAOA
SCHEMBL11566779 0.82 MAOB (0.62) MAOA
SCHEMBL13462940 0.81 MAPK1 (0.60) MAPK1GPR132HTR1ADRD2GRM2
SCHEMBL13452125 0.81 MAPK1 (0.57) MAPK1GPR132HTR1ADRD2GRM2
SCHEMBL791886 0.81 MAOB (0.66) MAPK1GPR132HTR1ADRD2
SCHEMBL16710545 0.79 MAPK1 (0.59) MAPK1GPR132HTR1ADRD2GRM2
SCHEMBL22964344 0.79 MAPK1 (0.58) MAPK1GPR132CMKLR2CMKLR1
SCHEMBL21477258 0.78 MAPK1 (0.57) MAPK1GPR132HTR1ADRD2GRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10961231-B2 NTCP inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-03-30 US disclosed
US-20210040072-A1 NTCP Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-02-11 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 (2 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-20210040072-A1 NTCP Inhibitors HAVCR2, NPC1, HMGCR MAPK1 2737/4885GPR132 3289/4885HTR1A 1938/4885
US-10961231-B2 NTCP inhibitors HAVCR2, NPC1, HMGCR MAPK1 2737/4885GPR132 3289/4885HTR1A 1938/4885

“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.