SCHEMBL6046796

SCHEMBL6046796

CCn1c(=O)c2c(C)[nH]nc2c2cc(-c3ccc(CCN4CCCC4)s3)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 10/20 0.45
KCNH2 Q12809 3/20 0.39
PTGER4 P35408 1/20 0.37
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
AURKA O14965 1/20 0.36
KDR P35968 1/20 0.36
AURKB Q96GD4 1/20 0.36
METAP2 P50579 1/20 0.35
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
KMT2A Q03164 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL6046756 0.91 CHEK1 (0.44) CHEK1KCNH2PTGER4AURKAKDR
SCHEMBL6046709 0.89 CHEK1 (0.44) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6046730 0.86 CHEK1 (0.54) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6046787 0.85 CHEK1 (0.46) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6046800 0.85 CHEK1 (0.50) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6046748 0.85 CHEK1 (0.45) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6046877 0.85 CHEK1 (0.45) CHEK1KCNH2PTGER4HTR1DHTR1B
SCHEMBL6046764 0.84 CHEK1 (0.53) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6046732 0.84 CHEK1 (0.47) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6046870 0.84 CHEK1 (0.44) CHEK1KCNH2AURKAKDRAURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060035920-A1 Chk-1 inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-02-16 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 (1 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-20060035920-A1 Chk-1 inhibitors CHKA, CHKB, CHEK1 CHEK1 3/4885KCNH2 3052/4885PTGER4 4852/4885

“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.