SCHEMBL6514629

SCHEMBL6514629

Cc1[nH]nc2c1c(=O)n(CCCNC(=O)Cc1ccccc1)c1ccc(Br)cc21

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 4/20 0.49
PLK1 P53350 11/20 0.49
HTT P42858 1/20 0.43
ALDH1A1 P00352 1/20 0.43
PLA2G2A P14555 1/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
KCNH2 Q12809 1/20 0.40

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
SCHEMBL6514638 0.81 CHEK1 (0.59) CHEK1ALDH1A1KCNH2
SCHEMBL6509536 0.81 CHEK1 (0.58) CHEK1PLK1HTTALDH1A1MEN1
SCHEMBL6512770 0.80 AURKA (0.50) CHEK1MEN1MAPTKMT2A
SCHEMBL6522416 0.80 MAPT (0.49) CHEK1MEN1MAPTKMT2A
SCHEMBL6521425 0.80 CHEK1 (0.60) CHEK1ALDH1A1KCNH2
SCHEMBL6510884 0.79 CHEK1 (0.56) CHEK1ALDH1A1KCNH2
SCHEMBL6517619 0.78 CHEK1 (0.77) CHEK1PLK1ALDH1A1KCNH2
SCHEMBL6508848 0.78 AURKA (0.54) CHEK1PLK1ALDH1A1KMT2AKCNH2
SCHEMBL6517711 0.77 CHEK1 (0.55) CHEK1PLK1ALDH1A1MAPTKCNH2
SCHEMBL6517612 0.77 CHEK1 (0.58) CHEK1HTTALDH1A1KCNH2

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-20050245563-A1 Chk-1 inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-11-03 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-20050245563-A1 Chk-1 inhibitors CHKA, CHKB, CHEK1 CHEK1 3/4885PLK1 151/4885HTT 4407/4885

“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.