SCHEMBL6514337

SCHEMBL6514337

Cc1c2c(=O)n(C)c3c(C#CCCN4C(=O)c5ccccc5C4=O)cc(Cl)cc3c2nn1C1CCCCO1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.37
DRD1 P21728 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
PTAFR P25105 1/20 0.30

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
SCHEMBL6514840 0.80 KMT2A (0.36) DRD1CYP1A2CYP2C9CYP2C19
SCHEMBL6509056 0.78 ATR (0.34)
SCHEMBL6515376 0.78 MAPT (0.41) DRD1CYP1A2CYP2C9CYP2C19
SCHEMBL6514298 0.76 RET (0.34)
SCHEMBL6509485 0.76 GAA (0.36)
SCHEMBL6517970 0.72 CHEK1 (0.36)
SCHEMBL6511094 0.67 CHEK1 (0.41) CYP1A2CYP2C9CYP2C19
SCHEMBL6514165 0.67 CHEK1 (0.39) CYP1A2CYP2C9CYP2C19
SCHEMBL6522000 0.66 CHEK1 (0.41) CYP1A2CYP2C9CYP2C19
SCHEMBL6511866 0.66 CHEK1 (0.38) CYP1A2CYP2C9CYP2C19

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 PGK1 119/4885DRD1 4838/4885CYP1A2 4825/4885

“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.