SCHEMBL4101714

SCHEMBL4101714

CCC(Br)c1nc2nc3ccccc3cc2c(=O)n1Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.44
PDE4B Q07343 4/20 0.44
PDE4C Q08493 4/20 0.44
PDE4D Q08499 4/20 0.44
ALDH1A1 P00352 5/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
RECQL P46063 1/20 0.43
CACNA2D1 P54289 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP1A2 P05177 1/20 0.41
GAA P10253 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
POLB P06746 1/20 0.41
KIF11 P52732 3/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL13981738 0.87 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL2351103 0.85 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7257039 0.85 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL5561425 0.81 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL5522521 0.79 KIF11 (0.56) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL4092061 0.78 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL5107000 0.76 KIF11 (0.56) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL5348271 0.76 HPGD (0.39) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL5555305 0.75 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL6017457 0.75 TLR7 (0.43) PDE4APDE4BPDE4CPDE4DALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090214529-A9 KINESIN INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2009-08-27 US disclosed
US-20090214529-A9 KINESIN INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2009-08-27 US disclosed
US-20090214529-A9 KINESIN INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2009-08-27 US disclosed
WO-2008147852-A1 KINESIN INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2008-12-04 WO disclosed
US-20080292626-A1 KINESIN INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2008-11-27 US disclosed
US-20080292626-A1 KINESIN INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2008-11-27 US disclosed
US-20080292626-A1 KINESIN INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2008-11-27 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 (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-20090214529-A9 KINESIN INHIBITORS KIF5B, KIF5A, KIF5C PDE4A 2105/4885PDE4B 1790/4885PDE4C 1925/4885
US-20080292626-A1 KINESIN INHIBITORS KIF5B, KIF5A, KIF5C PDE4A 2105/4885PDE4B 1790/4885PDE4C 1925/4885

“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.