SCHEMBL4291965

SCHEMBL4291965

O=c1ccc2c(-c3ccc(F)cc3)ccnc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 4/20 0.56
PDE3A Q14432 4/20 0.56
CDK5 Q00535 2/20 0.43
CCNB2 O95067 1/20 0.43
CDK1 P06493 1/20 0.43
CCNB1 P14635 1/20 0.43
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
CDK5R1 Q15078 1/20 0.43
CCNB3 Q8WWL7 1/20 0.43
IKBKB O14920 6/20 0.41
CHUK O15111 5/20 0.41
MAPK14 Q16539 5/20 0.41
EGFR P00533 3/20 0.41
DAPK3 O43293 1/20 0.41
JAK2 O60674 1/20 0.41
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 1/20 0.41
PAK4 O96013 1/20 0.41
CSF1R P07333 1/20 0.41

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
SCHEMBL24600503 0.81 PRKCI (0.43) PDE3BPDE3ACDK5IKBKBCHUK
SCHEMBL4495109 0.81 PDE3B (0.43) PDE3BPDE3ACDK1GSK3AGSK3B
Hydrochloric Acid SCHEMBL29691541 0.80 PRKCI (0.42) PDE3BPDE3AIKBKBCHUKMAPK8
Hydrochloric Acid SCHEMBL26679823 0.80 PRKCI (0.42) PDE3BPDE3AIKBKBCHUKMAPK8
SCHEMBL26679934 0.80 IKBKB (0.42) PDE3BPDE3ACDK5IKBKBCHUK
SCHEMBL26877422 0.79 ADRB2 (0.41) PDE3BPDE3AIKBKBCHUKMAPK8
SCHEMBL26877187 0.79 CIT (0.65) CDK5GSK3AGSK3BIKBKBCHUK
SCHEMBL29248820 0.79 CIT (0.65) CDK5GSK3AGSK3BIKBKBCHUK
SCHEMBL26877198 0.79 IKBKB (0.40) PDE3BPDE3AIKBKBCHUKROCK1
Hydrochloric Acid SCHEMBL29691590 0.77 IKBKB (0.39) PDE3BPDE3AIKBKBCHUKROCK1

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-20090239897-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-09-24 US disclosed
US-20090239897-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-09-24 US disclosed
US-20090239897-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-09-24 US disclosed
US-7550480-B2 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-06-23 US disclosed
US-7550480-B2 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-06-23 US disclosed
US-7550480-B2 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-06-23 US disclosed
US-20060211727-A1 Novel compounds GLAXOSMITHKLINE LLC 2006-09-21 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-20090239897-A1 NOVEL COMPOUNDS MAPKAPK2, CREBBP, MAPK1 PDE3B 965/4885PDE3A 1294/4885CDK5 187/4885
US-20060211727-A1 Novel compounds MAPKAPK2, CREBBP, MAPK1 PDE3B 965/4885PDE3A 1294/4885CDK5 187/4885

“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.