SCHEMBL29935728

SCHEMBL29935728

O=Cc1nccc2ncncc12

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.34
CCR1 P32246 1/20 0.33
CCR5 P51681 1/20 0.33
CCR8 P51685 1/20 0.33
ERN1 O75460 2/20 0.32
SLC22A12 Q96S37 1/20 0.30

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
Quinazoline SCHEMBL28491213 0.75 EGFR (0.57) EGFRERN1
SCHEMBL2008313 0.73 CYP2A6 (0.41) CCR1CCR5CCR8ERN1
SCHEMBL2008893 0.73 KDM4E (0.52) ERN1
SCHEMBL31132323 0.73 KDM4E (0.52) ERN1
SCHEMBL12123788 0.71 CYP2A6 (0.41) EGFR
SCHEMBL21893449 0.71 PI4KA (0.45) EGFR
SCHEMBL22589118 0.71 EGFR (0.38) EGFRSLC22A12
SCHEMBL30165038 0.71 PI4KA (0.45) EGFR
SCHEMBL2008999 0.70 EGFR (0.42) EGFRCCR1CCR5CCR8ERN1
SCHEMBL21818745 0.69 KDM4E (0.41) EGFRSLC22A12

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 EGFR 1658/4885CCR1 4485/4885CCR5 4295/4885
US-12577243-B2 Monoacylglycerol lipase modulators MGLL, LPL, FAAH EGFR 1008/4885CCR1 1712/4885CCR5 1934/4885
US-20230145249-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP EGFR 1658/4885CCR1 4485/4885CCR5 4295/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP EGFR 1658/4885CCR1 4485/4885CCR5 4295/4885

“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.