SCHEMBL20106905

SCHEMBL20106905

O=c1[nH]c2ccc(I)cc2s1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.55
PDE3A Q14432 3/20 0.55
PGR P06401 2/20 0.49
CMA1 P23946 1/20 0.48
ALDH1A1 P00352 2/20 0.42
PKM P14618 1/20 0.42
KIF11 P52732 1/20 0.42
POLB P06746 1/20 0.42
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.39
MKNK1 Q9BUB5 1/20 0.38
GRIA1 P42261 1/20 0.38
CACNG8 Q8WXS5 1/20 0.38
HTR1A P08908 1/20 0.38
HTR2C P28335 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL29186754 0.75 PDE3B (0.55) PDE3BPDE3APGRCMA1ALDH1A1
SCHEMBL6190902 0.75 CMA1 (0.75) PDE3BPDE3APGRCMA1ALDH1A1
SCHEMBL6190639 0.75 POLB (0.56) PDE3BPDE3APGRCMA1ALDH1A1
SCHEMBL29895649 0.75 PDE3B (0.55) PDE3BPDE3APGRCMA1ALDH1A1
SCHEMBL489133 0.75 PDE3B (0.55) PDE3BPDE3APGRCMA1ALDH1A1
SCHEMBL1848968 0.75 PDE3B (0.55) PDE3BPDE3APGRCMA1ALDH1A1
SCHEMBL7709830 0.75 PDE3B (0.55) PDE3BPDE3APGRCMA1ALDH1A1
SCHEMBL435577 0.75 PDE3B (0.59) PDE3BPDE3APGRCMA1ALDH1A1
SCHEMBL118581 0.75 PDE3B (0.55) PDE3BPDE3APGRCMA1ALDH1A1
SCHEMBL11538149 0.75 CMA1 (0.41) PDE3BPDE3APGRCMA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3901153-A1 AZABENZIMIDAZOLES AND THEIR USE AS AMPA RECEPTOR MODULATORS Janssen Pharmaceutica NV (BE) 2021-10-27 EP disclosed
EP-3288940-B9 AZABENZIMIDAZOLES AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2021-07-21 EP disclosed
EP-3288940-B1 AZABENZIMIDAZOLES AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2021-02-24 EP disclosed
EP-3532477-B1 FUSED BICYLIC PYRIDINE COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-08-26 EP disclosed
EP-3532476-B1 FUSED AZAHETEROCYCLIC COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-08-19 EP disclosed
EP-3288945-B1 IMIDAZOPYRAZINES AND PYRAZOLOPYRIMIDINES AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-09-18 EP disclosed
US-20180251434-A1 ANTIBACTERIAL HETEROCYCLIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2018-09-06 US disclosed
WO-2018080917-A1 FUSED BICYLIC PYRIDINE COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-03 WO disclosed
WO-2018080916-A1 FUSED AZAHETEROCYCLIC COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-03 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-20180251434-A1 ANTIBACTERIAL HETEROCYCLIC DERIVATIVES MRPL21, DCXR, Q6ZSR9 PDE3B 1643/4885PDE3A 1843/4885PGR 2544/4885

“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.