SCHEMBL21187459

SCHEMBL21187459

Cc1ncnc(-n2cnc3cc(F)cc(F)c32)c1-c1ccccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 4/20 0.39
▸ HSD11B1 P28845 2/20 0.38
▸ LMNA P02545 2/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ CLK4 Q9HAZ1 2/20 0.36
▸ USP2 O75604 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ DPP8 Q6V1X1 2/20 0.34
▸ PDE2A O00408 1/20 0.34
▸ PDE10A Q9Y233 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
SCHEMBL21182369 0.90 HSD11B1 (0.39) DPP4HSD11B1CYP3A4PDE2APDE10A
SCHEMBL21187499 0.86 DRD1 (0.35) HSD11B1ALDH1A1PDE2APDE10A
SCHEMBL21187446 0.83 HSD11B1 (0.39) DPP4HSD11B1PDE2APDE10A
SCHEMBL20698027 0.79 DPP4 (0.40) DPP4HSD11B1DPP8PDE2APDE10A
SCHEMBL21187445 0.78 DRD1 (0.38) HSD11B1ALDH1A1PDE2A
SCHEMBL21187498 0.75 HSD11B1 (0.39) DPP4HSD11B1CYP1A2PDE2APDE10A
SCHEMBL20697945 0.72 HSD11B1 (0.39) DPP4HSD11B1LMNAALDH1A1MAPK1
SCHEMBL21187501 0.71 GRM8 (0.35) CYP1A2ALDH1A1
SCHEMBL21187455 0.70 HSD11B1 (0.42) DPP4HSD11B1
SCHEMBL20698166 0.70 HSD11B1 (0.41) DPP4HSD11B1CYP3A4PDE2APDE10A

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
EP-3740474-B1 AGRICULTURAL CHEMICALS GLOBACHEM NV (BE) 2022-01-05 — — EP disclosed
US-20200339543-A1 AGRICULTURAL CHEMICALS GLOBACHEM NV (BE) 2020-10-29 — — US disclosed
WO-2019141972-A1 AGRICULTURAL CHEMICALS GLOBACHEM NV (BE) 2019-07-25 — — WO 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-20200339543-A1 AGRICULTURAL CHEMICALS ABAT, BRDT, GABBR1 DPP4 282/4885HSD11B1 930/4885LMNA 4594/4885

“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.

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