SCHEMBL5780796

SCHEMBL5780796

O=C(Nc1ncc(C2CCC2)s1)Nc1cccc2ncccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 13/20 1.00
CDK2 P24941 13/20 1.00
CDK5 Q00535 13/20 1.00
SMN1; SMN2 Q16637 2/20 0.49
CDK5R1 Q15078 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
P2RX7 Q99572 1/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL5779707 0.83 CCNE1 (0.72) CCNE1CDK2CDK5SMN1; SMN2CDK5R1
SCHEMBL5779402 0.82 CCNE1 (0.71) CCNE1CDK2CDK5CDK5R1
SCHEMBL5783104 0.82 CDK5 (1.00) CCNE1CDK2CDK5CDK5R1
SCHEMBL5782064 0.82 CDK5 (1.00) CCNE1CDK2CDK5SMN1; SMN2CDK5R1
SCHEMBL5778476 0.80 CCNE1 (0.66) CCNE1CDK2CDK5SMN1; SMN2CDK5R1
SCHEMBL5782763 0.80 CDK5 (0.68) CCNE1CDK2CDK5SMN1; SMN2CDK5R1
SCHEMBL5783819 0.80 CCNE1 (0.66) CCNE1CDK2CDK5SMN1; SMN2CDK5R1
SCHEMBL5781928 0.79 CCNE1 (0.70) CCNE1CDK2CDK5SMN1; SMN2CDK5R1
SCHEMBL27599336 0.78 MEN1 (0.76) CCNE1CDK2CDK5SMN1; SMN2MEN1
SCHEMBL5781736 0.77 CCNE1 (1.00) CCNE1CDK2CDK5CDK5R1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1256578-B1 Thiazole derivatives and their use as cdk inhibitors PFIZER PROD INC (US) 2006-01-11 EP claimed
US-6720427-B2 USED TO TREAT ABNORMAL CELL GROWTH AND CENTRAL NERVOUS SYSTEM DISORDERS PFIZER INC. 2004-04-13 US claimed
US-20030078252-A1 Thiazole derivatives PFIZER INC. 2003-04-24 US claimed
EP-1256578-A1 Thiazole derivatives and their use as cdk inhibitors Pfizer Products Inc. (US) 2002-11-13 EP claimed
EP-1256578-B1 Thiazole derivatives and their use as cdk inhibitors PFIZER PROD INC (US) 2006-01-11 EP disclosed
US-20040192746-A1 Thiazole derivatives PFIZER INC 2004-09-30 US disclosed
US-6720427-B2 USED TO TREAT ABNORMAL CELL GROWTH AND CENTRAL NERVOUS SYSTEM DISORDERS PFIZER INC. 2004-04-13 US disclosed
US-20030078252-A1 Thiazole derivatives PFIZER INC. 2003-04-24 US disclosed
EP-1256578-A1 Thiazole derivatives and their use as cdk inhibitors Pfizer Products Inc. (US) 2002-11-13 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-20030078252-A1 Thiazole derivatives CDK1, CDKL1, CDK5 CCNE1 112/4885CDK2 10/4885CDK5 3/4885
US-20040192746-A1 Thiazole derivatives CDK1, CDKL1, CDK5 CCNE1 112/4885CDK2 10/4885CDK5 3/4885

“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.