SCHEMBL30837650

SCHEMBL30837650

CS(=O)(=O)N1CCN(Cc2cnn3cccnc23)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.45
LMNA P02545 1/20 0.44
DRD4 P21917 2/20 0.43
DRD3 P35462 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALOX15 P16050 1/20 0.43
HTT P42858 1/20 0.43
IRAK4 Q9NWZ3 7/20 0.42
SMPD3 Q9NY59 3/20 0.42
POLB P06746 1/20 0.41
AXL P30530 1/20 0.40
KDR P35968 1/20 0.39
LTA4H P09960 1/20 0.39
ICAM1 P05362 1/20 0.39

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
SCHEMBL805457 0.74 SMPD3 (0.55) NPSR1LMNAKDM4EHTTIRAK4
SCHEMBL31294093 0.69 KDM4E (0.67) KDM4EIRAK4
SCHEMBL22792158 0.68 SMPD3 (0.55) NPSR1LMNAKDM4EHTTIRAK4
SCHEMBL30579408 0.68 SMPD3 (0.55) NPSR1LMNAKDM4EHTTIRAK4
SCHEMBL22792265 0.67 SMPD3 (0.50) NPSR1LMNAKDM4EHTTIRAK4
SCHEMBL30579401 0.65 SMPD3 (0.47) NPSR1LMNAKDM4EHTTIRAK4
SCHEMBL1243349 0.65 SMPD3 (0.51) NPSR1LMNAKDM4EIRAK4SMPD3
SCHEMBL29518379 0.65 SMPD3 (0.51) LMNAKDM4EHTTIRAK4SMPD3
SCHEMBL15312076 0.64 NPSR1 (0.51) NPSR1KDM4EALOX15HTTPOLB
SCHEMBL13779362 0.64 KDM4E (0.88) NPSR1LMNADRD4DRD3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240059690-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2024-02-22 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20240059690-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN SIGMAR1, OPRD1, P2RX3 NPSR1 421/4885LMNA 3776/4885DRD4 520/4885

“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.