SCHEMBL6046774

SCHEMBL6046774

CCn1c(=O)c2c(C)[nH]nc2c2cc(C#CCN3[C@@H](C)CC[C@@H]3C)ccc21

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 11/20 0.45
KCNH2 Q12809 2/20 0.41
AURKA O14965 1/20 0.38
KDR P35968 1/20 0.38
AURKB Q96GD4 1/20 0.38
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
CACNA2D1 P54289 1/20 0.32
GRM4 Q14833 1/20 0.32
GRIN1 Q05586 2/20 0.31
PLK1 P53350 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
SCHEMBL6046802 1.00 CHEK1 (0.45) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6046714 0.96 CHEK1 (0.43) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6046752 0.89 CHEK1 (0.43) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6046827 0.85 CHEK1 (0.46) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6046810 0.85 CHEK1 (0.46) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6046798 0.84 CHEK1 (0.48) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6046715 0.84 CHEK1 (0.46) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6046697 0.83 CHEK1 (0.44) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6046808 0.82 CHEK1 (0.46) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6046708 0.82 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060035920-A1 Chk-1 inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-02-16 US claimed
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 3052/4885AURKA 78/4885

“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.