SCHEMBL6788259

SCHEMBL6788259

C=CCc1c(C(O)CC)ccnc1F

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.34
KDM5B Q9UGL1 1/20 0.32
GCGR P47871 1/20 0.31
CCNB2 O95067 1/20 0.30
CDK1 P06493 1/20 0.30
CCNB1 P14635 1/20 0.30
GSK3A P49840 1/20 0.30
GSK3B P49841 1/20 0.30
CDK5 Q00535 1/20 0.30
CDK5R1 Q15078 1/20 0.30
CCNB3 Q8WWL7 1/20 0.30

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
SCHEMBL6787202 0.72 PDE2A (0.31) PDE2A
SCHEMBL6786551 0.72 CCNB2 (0.31) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL6786549 0.72 CCNB2 (0.31) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL11055200 0.71 TSHR (0.41)
SCHEMBL6788615 0.71 RXRA (0.33) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL6793809 0.71 CCNB2 (0.33) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL23602965 0.70 LMNA (0.34) PDE2A
SCHEMBL2410675 0.69 PDE2A (0.40) PDE2A
SCHEMBL6789137 0.69 CCNB2 (0.35) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL6785803 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6699876-B2 FOR CANCER THERAPY LES LABORATOIRES SERVIER (FR) 2004-03-02 US disclosed
US-20030105109-A1 For cancer therapy LES LABORATOIRES SERVIER (FR) 2003-06-05 US disclosed
US-6509345-B2 For therapy of cancerous diseases LES LABORATOIRES SERVIER (FR) 2003-01-21 US disclosed
EP-1101765-B1 Camptothecin analogues, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2002-08-14 EP disclosed
US-20020077325-A1 New camptothecin analogue compounds LAVIELLE GILBERT (FR) 2002-06-20 US disclosed
EP-1101765-A2 Camptothecin analogues, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2001-05-23 EP 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-20030105109-A1 For cancer therapy OXER1, OXGR1, CBR1 PDE2A 4537/4885KDM5B 2702/4885GCGR 723/4885
US-20020077325-A1 New camptothecin analogue compounds OXER1, CBR3, CBR1 PDE2A 1452/4885KDM5B 4053/4885GCGR 1653/4885

“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.