SCHEMBL29935890

SCHEMBL29935890

O=Cc1cnc2ccncc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.42
PDGFRB P09619 2/20 0.40
PDGFRA P16234 2/20 0.40
RAB9A P51151 1/20 0.38
ERN1 O75460 1/20 0.38
CSNK1D P48730 1/20 0.38
CSNK1E P49674 1/20 0.38
CLK1 P49759 1/20 0.38
DYRK1A Q13627 1/20 0.38
KDM4E B2RXH2 3/20 0.37
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
HASPIN Q8TF76 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
NCOA1 Q15788 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
EGFR P00533 1/20 0.34

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
SCHEMBL2012642 1.00 CYP2A6 (0.42) CYP2A6PDGFRBPDGFRARAB9AERN1
SCHEMBL1924038 0.85 CYP2A6 (0.42) CYP2A6PDGFRBPDGFRARAB9AERN1
SCHEMBL232458 0.77 PDGFRB (0.65) CYP2A6PDGFRBPDGFRARAB9AKDM4E
SCHEMBL13749984 0.76 PDGFRB (0.42) CYP2A6PDGFRBPDGFRARAB9ACSNK1D
SCHEMBL28205439 0.76 PDGFRB (0.62) CYP2A6PDGFRBPDGFRARAB9AKDM4E
Bromide SCHEMBL8728376 0.76 PDGFRB (0.62) CYP2A6PDGFRBPDGFRARAB9AKDM4E
SCHEMBL27600512 0.76 PDGFRB (0.62) CYP2A6PDGFRBPDGFRARAB9AKDM4E
Iodide SCHEMBL31463336 0.76 PDGFRB (0.62) CYP2A6PDGFRBPDGFRARAB9AKDM4E
SCHEMBL276487 0.75 DYRK1A (0.41) CYP2A6PDGFRBPDGFRARAB9ACSNK1D
SCHEMBL2011008 0.74 EGFR (0.55) CYP2A6ALDH1A1EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113164459-B Monoacylglycerol lipase modulators 詹森药业有限公司 2024-09-03 CN claimed
US-12577243-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2026-03-17 US disclosed
CN-113164459-B Monoacylglycerol lipase modulators 詹森药业有限公司 2024-09-03 CN disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-20230145249-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-05-11 US disclosed
US-20220332713-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2022-10-20 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 (4 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-20220332713-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP CYP2A6 747/4885PDGFRB 2367/4885PDGFRA 1804/4885
US-12577243-B2 Monoacylglycerol lipase modulators MGLL, LPL, FAAH CYP2A6 555/4885PDGFRB 1794/4885PDGFRA 2131/4885
US-20230145249-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP CYP2A6 747/4885PDGFRB 2367/4885PDGFRA 1804/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP CYP2A6 747/4885PDGFRB 2367/4885PDGFRA 1804/4885

“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.