SCHEMBL6512562

SCHEMBL6512562

Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(N3CCN(C)CC3)cc21

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 10/20 0.68
KCNH2 Q12809 2/20 0.58
SYK P43405 1/20 0.41
KDR P35968 2/20 0.40
AURKA O14965 1/20 0.40
AURKB Q96GD4 1/20 0.40
TERT O14746 3/20 0.40
HTR6 P50406 4/20 0.38
DRD2 P14416 1/20 0.37
HTR2C P28335 1/20 0.37
HTR7 P34969 1/20 0.37
HTR2B P41595 1/20 0.37
KIT P10721 1/20 0.36
PDGFRA P16234 1/20 0.36

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
SCHEMBL6514716 0.93 CHEK1 (0.70) CHEK1KCNH2SYKKDRAURKA
SCHEMBL6525536 0.90 CHEK1 (0.66) CHEK1KCNH2SYKTERT
SCHEMBL6510579 0.83 CHEK1 (0.80) CHEK1KCNH2KDRAURKAAURKB
SCHEMBL6512695 0.82 CHEK1 (0.78) CHEK1KCNH2KDRAURKAAURKB
SCHEMBL6514689 0.82 CHEK1 (0.62) CHEK1KCNH2KDRAURKAAURKB
SCHEMBL6508884 0.81 CHEK1 (0.77) CHEK1KCNH2SYKKDRAURKA
SCHEMBL6517619 0.81 CHEK1 (0.77) CHEK1KCNH2KDRAURKAAURKB
SCHEMBL6518189 0.81 CHEK1 (0.77) CHEK1KCNH2KDRAURKAAURKB
SCHEMBL6515391 0.81 CHEK1 (0.77) CHEK1KCNH2KDRAURKAAURKB
SCHEMBL6517703 0.81 CHEK1 (1.00) CHEK1KCNH2KDRAURKAAURKB

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-20050245563-A1 Chk-1 inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-11-03 US disclosed
WO-2005028474-A2 PYRAZOLOQUINOLINE DERIVATIVES AS CHK-1 INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-03-31 WO 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-20050245563-A1 Chk-1 inhibitors CHKA, CHKB, CHEK1 CHEK1 3/4885KCNH2 3052/4885SYK 1199/4885

“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.