SCHEMBL6513337

SCHEMBL6513337

COC(=O)CCCn1c(=O)c2c(C)n[nH]c2c2cc(Br)ccc21

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 6/20 0.45
PIK3CA P42336 6/20 0.45
CASP3 P42574 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
DYRK1A Q13627 3/20 0.40
CDK1 P06493 1/20 0.39
POLB P06746 1/20 0.38
CNR2 P34972 1/20 0.38
CHEK1 O14757 2/20 0.37
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 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
SCHEMBL6508143 0.89 PIK3R1 (0.43) PIK3R1PIK3CASMN1; SMN2ALDH1A1POLB
SCHEMBL6508464 0.83 CHEK1 (0.53) PIK3R1PIK3CASMN1; SMN2ALDH1A1CNR2
SCHEMBL6507976 0.83 CHEK1 (0.53) PIK3R1PIK3CASMN1; SMN2ALDH1A1CNR2
SCHEMBL6510884 0.82 CHEK1 (0.56) PIK3R1PIK3CACASP3SMN1; SMN2ALDH1A1
SCHEMBL6522395 0.82 PLK1 (0.45) PIK3R1PIK3CASMN1; SMN2ALDH1A1DYRK1A
SCHEMBL6507120 0.81 MAPT (0.59) PIK3R1PIK3CAALDH1A1POLBMEN1
SCHEMBL6522871 0.81 CHEK1 (0.51) PIK3R1PIK3CASMN1; SMN2ALDH1A1CHEK1
SCHEMBL6506935 0.81 PLK1 (0.44) PIK3R1PIK3CADYRK1ACNR2
SCHEMBL6525512 0.80 MAPT (0.51) PIK3R1PIK3CASMN1; SMN2ALDH1A1CNR2
SCHEMBL6514168 0.80 PLK1 (0.45) PIK3R1PIK3CASMN1; SMN2ALDH1A1POLB

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 PIK3R1 439/4885PIK3CA 409/4885CASP3 3036/4885

“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.