SCHEMBL6519265

SCHEMBL6519265

Cc1n[nH]c2c1c(=O)n(CCCN1CCc3ccccc3C1)c1ccccc21

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.47
HTR1A P08908 3/20 0.47
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
DRD3 P35462 3/20 0.42
ABCC1 P33527 1/20 0.42
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
SLC6A4 P31645 1/20 0.41
HRH1 P35367 1/20 0.41
TSHR P16473 1/20 0.40

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
SCHEMBL6523698 0.79 TSHR (0.47) ALDH1A1KDM4ETSHR
SCHEMBL6515436 0.79 CHEK1 (0.51) ALDH1A1KDM4E
SCHEMBL6522904 0.77 GAA (0.51) ALDH1A1TSHR
SCHEMBL6514910 0.76 CHEK1 (0.49) ALDH1A1KDM4ETSHR
SCHEMBL6518602 0.76 AURKA (0.41) ALDH1A1KDM4EMAPTTSHR
SCHEMBL21067780 0.75 CYP1A2 (0.48) ALDH1A1KDM4EMAPT
SCHEMBL6508661 0.74 TOP2A (0.53) KDM4EMAPT
Hydrochloric Acid SCHEMBL6518743 0.73 TOP2A (0.52) KDM4EMAPT
SCHEMBL6518571 0.73 HDAC3 (0.41) KDM4E
SCHEMBL6508709 0.73 GAA (0.42) ALDH1A1KDM4EMAPT

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 HTR7 3290/4885HTR1A 3499/4885ALDH1A1 4635/4885

“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.