SCHEMBL4148301

SCHEMBL4148301

[CH2]c1ccc2c(n1)NC(=O)CC2

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
NPC1 O15118 1/20 0.40
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
CA9 Q16790 1/20 0.40
DRD2 P14416 12/20 0.36
HTR1A P08908 11/20 0.36
HTR2A P28223 11/20 0.36
CRBN Q96SW2 2/20 0.36
SRD5A1 P18405 2/20 0.34
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL29809401 0.78 PDE3B (0.50) PDE3BPDE3ANPC1MAPK13MAPK12
SCHEMBL21671865 0.78 PDE3B (0.43) PDE3BPDE3ANPC1MAPK13MAPK12
SCHEMBL5371747 0.78 PDE3B (0.43) PDE3BPDE3ANPC1MAPK13MAPK12
SCHEMBL18202413 0.78 PDE3B (0.43) PDE3BPDE3ANPC1MAPK13MAPK12
SCHEMBL4132924 0.78 PDE3B (0.50) PDE3BPDE3ANPC1MAPK13MAPK12
SCHEMBL5366571 0.78 CA9 (0.47) PDE3BPDE3ANPC1MAPK13MAPK12
SCHEMBL3153757 0.75 PDE3B (0.41) PDE3BPDE3ANPC1MAPK13MAPK12
SCHEMBL13937428 0.74 PDE3B (0.47) PDE3BPDE3ANPC1MAPK13MAPK12
SCHEMBL13111251 0.74 PDE3B (0.43) PDE3BPDE3ANPC1MAPK13MAPK12
SCHEMBL18194093 0.74 PDE3B (0.43) PDE3BPDE3ANPC1MAPK13MAPK12

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
EP-2022793-B1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO LTD (JP) 2014-06-04 EP disclosed
US-8367831-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2013-02-05 US disclosed
US-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-09-06 US disclosed
US-8211908-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-07-03 US disclosed
US-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-08-06 US disclosed
EP-2022793-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-02-11 EP 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-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF IKZF3, ZC3HAV1L, H1-4 PDE3B 4670/4885PDE3A 4706/4885NPC1 2963/4885
US-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF IKZF3, ZC3HAV1L, CXXC5 PDE3B 4571/4885PDE3A 4627/4885NPC1 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.