SCHEMBL6522871

SCHEMBL6522871

Cc1n[nH]c2c1c(=O)n(CCN)c1ccc(Br)cc21

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 4/20 0.51
PIK3R1 P27986 7/20 0.46
PIK3CA P42336 7/20 0.46
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK8 P45983 1/20 0.37
PLK1 P53350 2/20 0.36
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL6508464 0.93 CHEK1 (0.53) CHEK1PIK3R1PIK3CASMN1; SMN2ALDH1A1
SCHEMBL6507976 0.92 CHEK1 (0.53) CHEK1PIK3R1PIK3CASMN1; SMN2ALDH1A1
SCHEMBL6515579 0.84 PIK3R1 (0.43) CHEK1PIK3R1PIK3CASMN1; SMN2ALDH1A1
SCHEMBL6508143 0.84 PIK3R1 (0.43) CHEK1PIK3R1PIK3CASMN1; SMN2ALDH1A1
SCHEMBL6514910 0.83 CHEK1 (0.49) CHEK1ALDH1A1PLK1LMNAHTT
SCHEMBL6513337 0.81 PIK3R1 (0.45) CHEK1PIK3R1PIK3CASMN1; SMN2ALDH1A1
SCHEMBL6513825 0.80 CHEK1 (0.70) CHEK1MAPK8PLK1KCNH2
SCHEMBL6522820 0.78 PIK3R1 (0.43) PIK3R1PIK3CAMAPK8PLK1
SCHEMBL6514615 0.78 PIK3R1 (0.41) PIK3R1PIK3CASMN1; SMN2ALDH1A1PLK1
SCHEMBL6514168 0.77 PLK1 (0.45) PIK3R1PIK3CASMN1; SMN2ALDH1A1PLK1

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 3/4885PIK3R1 439/4885PIK3CA 409/4885

“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.