SCHEMBL6515622

SCHEMBL6515622

Cc1[nH]nc2c1c(=O)n(CCCC(=O)N1CCNCC1)c1ccc(Br)cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 8/20 0.51
MAPT P10636 8/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KCNH2 Q12809 2/20 0.43
TP53 P04637 5/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 2/20 0.40
CYP3A4 P08684 2/20 0.40
USP2 O75604 2/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
UBE2N P61088 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
AURKA O14965 1/20 0.37

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
SCHEMBL6521425 0.85 CHEK1 (0.60) CHEK1SMN1; SMN2KCNH2ALDH1A1AURKA
SCHEMBL6514638 0.83 CHEK1 (0.59) CHEK1SMN1; SMN2KCNH2ALDH1A1KDM4E
SCHEMBL6510884 0.81 CHEK1 (0.56) CHEK1SMN1; SMN2KCNH2ALDH1A1AURKA
SCHEMBL6517612 0.80 CHEK1 (0.58) CHEK1SMN1; SMN2KCNH2ALDH1A1KDM4E
SCHEMBL6517619 0.80 CHEK1 (0.77) CHEK1SMN1; SMN2KCNH2ALDH1A1AURKA
SCHEMBL6516725 0.78 CHEK1 (0.59) CHEK1KCNH2ALDH1A1AURKAKDR
SCHEMBL6508558 0.77 CHEK1 (0.58) CHEK1SMN1; SMN2KCNH2ALDH1A1AURKA
SCHEMBL6509536 0.74 CHEK1 (0.58) CHEK1MAPTKCNH2ALDH1A1HTT
SCHEMBL6514629 0.74 CHEK1 (0.49) CHEK1MAPTKCNH2ALDH1A1HTT
SCHEMBL6525512 0.73 MAPT (0.51) MAPTSMN1; SMN2TP53ALDH1A1MAPK1

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 3/4885MAPT 3744/4885SMN1; SMN2 3724/4885

“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.