SCHEMBL21849067

SCHEMBL21849067

COc1cccc2ncc(C(C)(C)C)cc12

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FGFR2 P21802 5/20 0.45
GAK O14976 1/20 0.44
RIPK2 O43353 1/20 0.44
COQ8A Q8NI60 1/20 0.44
NLK Q9UBE8 1/20 0.44
PDPK1 O15530 1/20 0.43
PDE10A Q9Y233 1/20 0.43
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
TDO2 P48775 1/20 0.38
DOT1L Q8TEK3 1/20 0.38

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
SCHEMBL2200297 0.86 SMN1; SMN2 (0.51) GAKRIPK2COQ8ANLKPDPK1
SCHEMBL23479220 0.78 CYP1A2 (0.37) PDE3BPDE3ASMN1; SMN2KDM4E
SCHEMBL5221215 0.78 PDE10A (0.48) PDPK1PDE10APDE3BPDE3APDGFRB
SCHEMBL27947745 0.78 MTNR1B (0.50) PDPK1PDE10APDGFRBPDGFRASMN1; SMN2
SCHEMBL17811244 0.78 CA2 (0.36) PDPK1PDE10ATSHRKDM4EALDH1A1
SCHEMBL2204145 0.77 EGFR (0.47) GAKRIPK2COQ8ANLKPDPK1
SCHEMBL2815588 0.77 PDPK1 (0.45) PDPK1PDE10APDE3BPDE3AKDM4E
SCHEMBL23478913 0.77 PDGFRB (0.48) PDE10APDGFRBPDGFRAKDM4E
SCHEMBL23478352 0.77 PDE3B (0.36) PDE3BPDE3ASMN1; SMN2ALDH1A1HPGD
SCHEMBL2203334 0.77 PDPK1 (0.45) GAKRIPK2COQ8ANLKPDPK1

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-20230242531-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-08-03 US disclosed
US-20230242531-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-08-03 US disclosed
US-20200102311-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 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-20230242531-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP FGFR2 1589/4885GAK 1750/4885RIPK2 2876/4885
US-20200102311-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP FGFR2 1589/4885GAK 1750/4885RIPK2 2876/4885

“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.