SCHEMBL25527779

SCHEMBL25527779

CCOC(=O)c1c(C)nc2cccnn12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.65
MAPK1 P28482 3/20 0.60
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.49
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 3/20 0.49
HSD17B10 Q99714 2/20 0.49
HPGD P15428 2/20 0.49
RAB9A P51151 5/20 0.46
MAPT P10636 3/20 0.46
CYP1A2 P05177 2/20 0.46
TP53 P04637 2/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HCRTR1 O43613 1/20 0.46
ALOX15 P16050 1/20 0.46
RXFP1 Q9HBX9 1/20 0.45
GAA P10253 3/20 0.44
NPC1 O15118 3/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL20580269 0.83 CYP1A2 (0.66) PDE4AMAPK1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL1047810 0.80 PDE4A (0.47) PDE4AMAPK1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL6245122 0.80 KMT2A (0.55) PDE4AMAPK1KMT2AALDH1A1KDM4E
SCHEMBL23013504 0.79 PDE4A (0.54) PDE4AMAPK1SMN1; SMN2ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL21816315 0.79 PDE4A (0.46) PDE4AMAPK1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL17492366 0.79 PDE4A (1.00) PDE4AMAPK1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL17492384 0.79 PDE4A (0.76) PDE4AMAPK1SMN1; SMN2ALDH1A1HSD17B10
SCHEMBL21816080 0.77 KMT2A (0.60) PDE4AMAPK1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL14739475 0.76 PDE4A (0.51) PDE4AMAPK1SMN1; SMN2KDM4EHSD17B10
SCHEMBL23023734 0.76 PDE4A (0.51) PDE4AMAPK1SMN1; SMN2ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-20230242531-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-08-03 US disclosed
US-20230145249-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-05-11 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 (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-20230242531-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP PDE4A 840/4885MAPK1 4069/4885KMT2A 2234/4885
US-20230145249-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP PDE4A 443/4885MAPK1 4389/4885KMT2A 1069/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP PDE4A 443/4885MAPK1 4389/4885KMT2A 1069/4885

“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.