SCHEMBL25680896

SCHEMBL25680896

CCc1nc(CC)c2cc(OC)c(OC)cc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTSR1 P30989 2/20 0.50
MAPK1 P28482 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
PDE4A P27815 3/20 0.47
PDE4D Q08499 3/20 0.47
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPT P10636 1/20 0.47
PLK4 O00444 1/20 0.46
CHEK1 O14757 1/20 0.46
AURKA O14965 1/20 0.46
NTRK1 P04629 1/20 0.46
LCK P06239 1/20 0.46
CDK1 P06493 1/20 0.46
CSF1R P07333 1/20 0.46
PIM1 P11309 1/20 0.46
RPS6KB1 P23443 1/20 0.46
CDK2 P24941 1/20 0.46
MARK3 P27448 1/20 0.46
FLT4 P35916 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
SCHEMBL24015771 0.83 NTSR1 (0.50) NTSR1MAPK1SMN1; SMN2PDE4APDE4D
SCHEMBL29589930 0.81 ENPP1 (0.51) NTSR1MAPK1SMN1; SMN2PDE4APDE4D
SCHEMBL20813450 0.81 NTSR1 (0.49) NTSR1MAPK1SMN1; SMN2PDE4APDE4D
SCHEMBL14115083 0.81 HTT (0.54) MAPK1SMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL15819368 0.81 ENPP1 (0.51) NTSR1MAPK1SMN1; SMN2PDE4APDE4D
SCHEMBL15819106 0.81 NTSR1 (0.49) NTSR1MAPK1SMN1; SMN2PDE4APDE4D
SCHEMBL24067384 0.79 NTSR1 (0.47) NTSR1MAPK1SMN1; SMN2PDE4APDE4D
SCHEMBL24392105 0.79 NTSR1 (0.47) NTSR1MAPK1SMN1; SMN2PDE4APDE4D
SCHEMBL24392653 0.76 NTSR1 (0.50) NTSR1KDM4EALDH1A1MAPTPDE3B
SCHEMBL24391771 0.74 EHMT2 (0.53) NTSR1KDM4EALDH1A1MAPTPDE3B

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-20230183239-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ABBVIE INC (US) 2023-06-15 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 (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-20230183239-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ENPP1, ENPP3, STING1 NTSR1 2753/4885MAPK1 2004/4885SMN1; SMN2 3306/4885

“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.