SCHEMBL8196489

SCHEMBL8196489

CCC1C(=O)NC2=Nc3ccc(Cl)c(Cl)c3CN21

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 14/20 0.70
PDE3A Q14432 14/20 0.70
MEN1 O00255 1/20 0.54
PDE2A O00408 1/20 0.54
KMT2A Q03164 1/20 0.54
P2RY12 Q9H244 1/20 0.54
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
TSHR P16473 1/20 0.53
BLM P54132 1/20 0.53
HTR2C P28335 2/20 0.33
HTR1A P08908 1/20 0.33
HTR1D P28221 1/20 0.33
HTR7 P34969 1/20 0.33
HTR5A P47898 1/20 0.33
MAPK1 P28482 1/20 0.32
PNMT P11086 2/20 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
SCHEMBL12821119 0.88 PDE3B (0.54) PDE3BPDE3AMEN1PDE2AKMT2A
SCHEMBL11398470 0.85 PDE3B (0.73) PDE3BPDE3AMEN1PDE2AKMT2A
Hydrochloric Acid SCHEMBL11278036 0.84 PDE3B (0.71) PDE3BPDE3AMEN1PDE2AKMT2A
SCHEMBL2772072 0.82 PDE3B (1.00) PDE3BPDE3AMEN1PDE2AKMT2A
SCHEMBL10844973 0.81 PDE3B (0.50) PDE3BPDE3AMEN1PDE2AKMT2A
SCHEMBL10844930 0.81 PDE3B (0.49) PDE3BPDE3AMEN1PDE2AKMT2A
SCHEMBL10848919 0.80 PDE3B (0.48) PDE3BPDE3AMEN1PDE2AKMT2A
SCHEMBL10843626 0.79 PDE3B (0.47) PDE3BPDE3AMEN1PDE2AKMT2A
SCHEMBL10843423 0.79 PDE3B (0.47) PDE3BPDE3AMEN1PDE2AKMT2A
SCHEMBL10845253 0.79 PDE3B (0.47) PDE3BPDE3AMEN1PDE2AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7910597-B2 platelet lowering agent anagrelide especially 3-and 5-substituted analogues, with reduced potential for cardiovascular side-effects; imidazo[2,1-b]quinazolin-2-one derivatives; by inhibiting megakaryocytopoeisis; antiproliferative agents SHIRE LLC (US) 2011-03-22 US disclosed
US-20100137343-A1 SUBSTITUTED QUINAZOLINES SHIRE LLC (US) 2010-06-03 US disclosed
US-20080176877-A1 SUBSTITUTED QUINAZOLINES SHIRE LLC (US) 2008-07-24 US disclosed
US-20080176877-A1 SUBSTITUTED QUINAZOLINES SHIRE LLC (US) 2008-07-24 US disclosed
WO-2008065444-A2 SUBSTITUTED QUINAZOLINES SHIRE LLC (US) 2008-06-05 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 (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-20080176877-A1 SUBSTITUTED QUINAZOLINES MPL, THPO, ABL1 PDE3B 232/4885PDE3A 563/4885MEN1 291/4885
US-20100137343-A1 SUBSTITUTED QUINAZOLINES MPL, THPO, ABL1 PDE3B 232/4885PDE3A 563/4885MEN1 291/4885

“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.