SCHEMBL6514910

SCHEMBL6514910

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.49
AURKA O14965 1/20 0.41
KDR P35968 1/20 0.41
AURKB Q96GD4 1/20 0.41
PGR P06401 1/20 0.39
RORA P35398 1/20 0.39
RORC P51449 1/20 0.39
RORB Q92753 1/20 0.39
SLC9A1 P19634 1/20 0.38
HPGD P15428 3/20 0.38
LMNA P02545 3/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
GLA P06280 1/20 0.38
APEX1 P27695 1/20 0.38
SYK P43405 1/20 0.38
RECQL P46063 1/20 0.38
ALDH1A1 P00352 3/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL6515436 0.93 CHEK1 (0.51) CHEK1AURKAKDRAURKBPGR
SCHEMBL6518602 0.87 AURKA (0.41) CHEK1AURKAKDRAURKBPGR
SCHEMBL21067780 0.85 CYP1A2 (0.48) AURKAKDRAURKBPGRHPGD
SCHEMBL6523698 0.85 TSHR (0.47) AURKAKDRAURKBPGRRORA
SCHEMBL6508661 0.85 TOP2A (0.53) AURKAKDRAURKBHTTTDP1
Hydrochloric Acid SCHEMBL6518743 0.84 TOP2A (0.52) AURKAKDRAURKBHTTKDM4E
SCHEMBL6522871 0.83 CHEK1 (0.51) CHEK1LMNAHTTALDH1A1PLK1
SCHEMBL6514357 0.81 ALDH1A1 (0.44) AURKAKDRAURKBHPGDLMNA
SCHEMBL6522904 0.81 GAA (0.51) LMNAALDH1A1POLBTSHR
SCHEMBL6521770 0.80 HDAC3 (0.40) AURKAKDRAURKBHPGDLMNA

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 3/4885AURKA 78/4885KDR 1094/4885

“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.