SCHEMBL6401437

SCHEMBL6401437

CC1(C)CC(=O)NN=C1c1ccc(Cl)c(N)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 9/20 0.42
PDE3A Q14432 9/20 0.42
HRH3 Q9Y5N1 1/20 0.42
BACE1 P56817 2/20 0.39
PDE4B Q07343 4/20 0.37
GALR3 O60755 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
PGR P06401 1/20 0.35
PDE4A P27815 3/20 0.33
PDE4C Q08493 3/20 0.33
PDE4D Q08499 3/20 0.33
GRIA2 P42262 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
WEE1 P30291 1/20 0.32

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
SCHEMBL9571268 0.89 HRH3 (0.45) PDE3BPDE3AHRH3PDE4BGALR3
SCHEMBL11366945 0.84 HRH3 (0.42) PDE3BPDE3AHRH3PDE4BGALR3
SCHEMBL6400233 0.82 PDE4B (0.52) PDE3BPDE3AHRH3PDE4BPDE4A
SCHEMBL14491901 0.81 HRH3 (0.42) PDE3BPDE3AHRH3PDE4BGALR3
SCHEMBL5335003 0.80 HRH3 (0.46) PDE3BPDE3AHRH3PDE4BMAPT
SCHEMBL5184219 0.80 HRH3 (0.46) PDE3BPDE3AHRH3BACE1PDE4B
SCHEMBL11367905 0.80 MAPT (0.44) PDE3BPDE3AHRH3GALR3MAPT
SCHEMBL5337178 0.78 MAPT (0.59) PDE3BPDE3AHRH3PDE4BGALR3
SCHEMBL5183009 0.78 TDP2 (0.41) PDE3BPDE3AHRH3PDE4B
SCHEMBL8720091 0.74 HRH3 (0.41) PDE3BPDE3AHRH3PDE4BGALR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050059658-A1 Pyridazinone BAYER AKTIENGESELLSCHAFT (DE) 2005-03-17 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 (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-20050059658-A1 Pyridazinone TYMP, TPMT, PDXK PDE3B 1587/4885PDE3A 1579/4885HRH3 624/4885

“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.