SCHEMBL6523264

SCHEMBL6523264

C[C@@H](c1[nH]nc2c1c(=O)[nH]c1ccc(Cl)cc12)C1CCCNC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 11/20 0.53
CSF1R P07333 2/20 0.35
IDH1 O75874 1/20 0.35
ADORA3 P0DMS8 1/20 0.34
PTGS2 P35354 1/20 0.33
CDC25A P30304 1/20 0.33
CDC25C P30307 1/20 0.33
PTGES O14684 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL6513248 1.00 CHEK1 (0.53) CHEK1CSF1RIDH1ADORA3PTGS2
SCHEMBL6507585 0.70 CHEK1 (1.00) CHEK1CSF1RADORA3CDC25ACDC25C
SCHEMBL7511840 0.69 MAPK10 (0.40) CHEK1CSF1RMAPK1
SCHEMBL6509924 0.68 CHEK1 (0.70) CHEK1CSF1RADORA3CDC25ACDC25C
SCHEMBL7507702 0.67 HTR6 (0.36) CHEK1
SCHEMBL7509290 0.67 MAP2 (0.39) CHEK1CSF1RALDH1A1
SCHEMBL6507672 0.66 CHEK1 (0.60) CHEK1CSF1RIDH1ADORA3CDC25A
SCHEMBL6513239 0.65 CHEK1 (0.53) CHEK1IDH1KDM4EALDH1A1HPGD
SCHEMBL7513797 0.65 CHRM4 (0.37) CHEK1
SCHEMBL7507746 0.65 HTR2A (0.35) CHEK1

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 3/4885CSF1R 858/4885IDH1 3267/4885

“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.