SCHEMBL6509557

SCHEMBL6509557

O=c1[nH]c2ccc(Cl)cc2c2n[nH]c(CCOCc3ccccc3)c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 5/20 0.53
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 1/20 0.43
ADORA3 P0DMS8 1/20 0.42
CSF1R P07333 3/20 0.39
TYMS P04818 1/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 1/20 0.39
TUBB8 Q3ZCM7 1/20 0.39
TUBA3E Q6PEY2 1/20 0.39
TUBA1A Q71U36 1/20 0.39
TUBA1C Q9BQE3 1/20 0.39

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
SCHEMBL6509456 0.94 CHEK1 (0.51) CHEK1MEN1KMT2AMAPTALDH1A1
SCHEMBL6513915 0.85 CHEK1 (0.60) CHEK1MEN1KMT2AALDH1A1ADORA3
SCHEMBL6515387 0.84 CHEK1 (0.59) CHEK1ADORA3CSF1RPTGESSIRT1
SCHEMBL6507557 0.83 CHEK1 (0.62) CHEK1ALDH1A1ADORA3CSF1RPTGES
SCHEMBL6509924 0.77 CHEK1 (0.70) CHEK1ADORA3CSF1RPTGESFLT3
SCHEMBL6518250 0.75 CHEK1 (0.61) CHEK1MAPTPIM1
SCHEMBL6510874 0.73 ADORA3 (0.38) CHEK1MEN1KMT2AMAPTALDH1A1
SCHEMBL6507672 0.72 CHEK1 (0.60) CHEK1ALDH1A1ADORA3CSF1RPTGES
SCHEMBL6507585 0.70 CHEK1 (1.00) CHEK1ADORA3CSF1RTYMS
SCHEMBL6525473 0.69 MEN1 (0.58) MEN1KMT2AMAPTALDH1A1CSF1R

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 3/4885MEN1 1973/4885KMT2A 1919/4885

“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.