SCHEMBL5879258

SCHEMBL5879258

O=C1C=C(c2c[nH]c3cc(F)ccc23)C(=O)N1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 2/20 0.49
CCND1 P24385 2/20 0.49
CCNE2 O96020 1/20 0.49
PRKACA P17612 1/20 0.49
PRKACG P22612 1/20 0.49
PRKACB P22694 1/20 0.49
CCNE1 P24864 1/20 0.49
CDK2 P24941 1/20 0.49
TDO2 P48775 16/20 0.47
IDO1 P14902 2/20 0.44
GPR84 Q9NQS5 1/20 0.44

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
SCHEMBL5879255 0.88 IGF1R (0.50) CDK4CCND1CCNE2PRKACAPRKACG
SCHEMBL5879143 0.82 IDH1 (0.46) CDK4CCND1CCNE2PRKACAPRKACG
SCHEMBL5879319 0.82 CDK4 (0.49) CDK4CCND1CCNE2PRKACAPRKACG
SCHEMBL5879200 0.82 CDK4 (0.46) CDK4CCND1CCNE2PRKACAPRKACG
SCHEMBL7862532 0.81 CDK4 (0.67) CDK4CCND1CCNE2PRKACAPRKACG
SCHEMBL5879260 0.79 CDK4 (0.71) CDK4CCND1
SCHEMBL29771997 0.78 PRKCB (0.65) CDK4CCND1CCNE2PRKACAPRKACG
SCHEMBL2193383 0.78 PRKCB (0.65) CDK4CCND1CCNE2PRKACAPRKACG
SCHEMBL8314810 0.77 TDO2 (0.49) CDK4CCND1CCNE2PRKACAPRKACG
SCHEMBL5339298 0.75 CDK4 (0.57) CDK4CCND1CCNE2PRKACAPRKACG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7151108-B2 Anticarcinogenic, antiproliferative, and antitumor agents LES LABORATORIES SERVIER (FR) 2006-12-19 US disclosed
US-7129250-B2 Neuroprotective and anti-proliferative compounds AEGERA THERAPEUTICS INC. (CA) 2006-10-31 US disclosed
EP-1411057-B1 [3,4-a:3,4-c]carbazole derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2005-04-27 EP disclosed
US-20040220202-A1 Neuroprotective and anti-proliferative compounds AEGERA THERAPEUTICS INC. (CA) 2004-11-04 US disclosed
US-20040102467-A1 Neuroprotective and anti-proliferative compounds AEGERA THERAPEUTICS INC. (CA) 2004-05-27 US disclosed
US-20040077672-A1 Anticarcinogenic, antiproliferative, and antitumor agents LES LABORATOIRES SERVIER (FR) 2004-04-22 US disclosed
EP-1411057-A1 [3,4-a:3,4-c]carbazole derivatives, process for their preparation and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2004-04-21 EP disclosed
EP-1379511-A1 DIHYDRO-BENZO (b) (1, 4) DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II F. HOFFMANN-LA ROCHE AG (CH) 2004-01-14 EP disclosed
EP-1283836-A2 NEUROPROTECTIVE AND ANTI-PROLIFERATIVE COMPOUNDS Aegera Therapeutics Inc. (CA) 2003-02-19 EP disclosed
WO-2002083652-A1 DIHYDRO-BENZO [b] [1, 4] DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II F. HOFFMANN-LA ROCHE AG (CH) 2002-10-24 WO disclosed
WO-2001087887-A2 NEUROPROTECTIVE AND ANTI-PROLIFERATIVE COMPOUNDS AEGERA THERAPEUTICS INC. (CA) 2001-11-22 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 (3 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-20040220202-A1 Neuroprotective and anti-proliferative compounds NLN, MKI67, BDNF CDK4 47/4885CCND1 106/4885CCNE2 268/4885
US-20040077672-A1 Anticarcinogenic, antiproliferative, and antitumor agents XDH, TOP2A, TOP1 CDK4 1989/4885CCND1 405/4885CCNE2 379/4885
US-20040102467-A1 Neuroprotective and anti-proliferative compounds MKI67, NLN, BDNF CDK4 50/4885CCND1 92/4885CCNE2 239/4885

“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.