SCHEMBL6046812

SCHEMBL6046812

CCn1c(=O)c2c(C)[nH]nc2c2cc(-c3ccc(CN4[C@@H](C)CC[C@@H]4C)s3)ccc21

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 10/20 0.43
KCNH2 Q12809 2/20 0.39
AURKA O14965 1/20 0.36
KDR P35968 1/20 0.36
AURKB Q96GD4 1/20 0.36
METAP2 P50579 2/20 0.35
PDE4A P27815 2/20 0.34
PDE4B Q07343 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
GFER P55789 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CD38 P28907 1/20 0.31
NPY5R Q15761 1/20 0.30
PTGER4 P35408 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
SCHEMBL6046867 1.00 CHEK1 (0.43) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6046693 0.90 CHEK1 (0.42) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6046756 0.86 CHEK1 (0.44) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6046709 0.86 CHEK1 (0.44) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6046710 0.85 CHEK1 (0.42) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6046764 0.84 CHEK1 (0.53) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6046830 0.84 CHEK1 (0.42) CHEK1KCNH2
SCHEMBL6046781 0.84 CHEK1 (0.41) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6046795 0.83 CHEK1 (0.43) CHEK1KCNH2
SCHEMBL6046818 0.83 CHEK1 (0.42) 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.