SCHEMBL6509485

SCHEMBL6509485

Cc1c2c(=O)n(C)c3c(N)cc(Cl)cc3c2nn1C1CCCCO1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
RET P07949 7/20 0.36
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
TNF P01375 1/20 0.31
LITAF Q99732 1/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
ATR Q13535 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
SCHEMBL6514298 0.88 RET (0.34) GAARETTNFLITAFCYP4F2
SCHEMBL6517970 0.78 CHEK1 (0.36) RET
SCHEMBL6514337 0.76 PGK1 (0.37)
SCHEMBL6509056 0.75 ATR (0.34) ATR
SCHEMBL6516690 0.74 CHEK1 (0.42) ALDH1A1LMNA
SCHEMBL6511094 0.74 CHEK1 (0.41) ALDH1A1LMNACYP4F2CYP4A11
SCHEMBL6514840 0.74 KMT2A (0.36) ALDH1A1LMNAPOLB
SCHEMBL6514165 0.73 CHEK1 (0.39) GAAALDH1A1LMNACYP4F2CYP4A11
SCHEMBL6522000 0.73 CHEK1 (0.41) ALDH1A1LMNA
SCHEMBL6508753 0.73 CHEK1 (0.47) GAAALDH1A1LMNAPOLB

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 GAA 2750/4885RET 1690/4885ALDH1A1 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.