SCHEMBL6532791

SCHEMBL6532791

CCN(Cc1cncc(-c2ccc3c(c2)c(-c2ncc(C(=O)N4CCC(Oc5ccccc5)CC4)[nH]2)nn3C2CCCCO2)c1C)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
SCD5 Q86SK9 2/20 0.31
BTK Q06187 1/20 0.31
SCD O00767 1/20 0.31
SPR P35270 1/20 0.31
PRMT5 O14744 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
SCHEMBL6504318 0.92 RXRA (0.31)
SCHEMBL6507048 0.91 MAP3K8 (0.31)
SCHEMBL6508954 0.91 MAP3K8 (0.31)
SCHEMBL6504155 0.91 FASN (0.35)
SCHEMBL6502067 0.90 MEN1 (0.34) ALDH1A1
SCHEMBL6507862 0.90 TBK1 (0.31)
SCHEMBL6505126 0.90 RXRA (0.30)
SCHEMBL6505128 0.89 MAP3K8 (0.33) ALDH1A1
SCHEMBL6533542 0.89 ATR (0.31)
SCHEMBL6510075 0.89 ALDH1A1 (0.32) ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1575903-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES Jerini AG (DE) 2005-09-21 EP claimed
WO-2004065353-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES JERINI AG (DE) 2004-08-05 WO claimed
US-20050090529-A1 3,5 Disubstituted indazole compounds with nitrogen-bearing 5-membered heterocycles, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation PFIZER INC 2005-04-28 US 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-20050090529-A1 3,5 Disubstituted indazole compounds with nitrogen-bearing 5-membered heterocycles, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation CDK3, CDK4, CDK9 ALDH1A1 3447/4885SCD5 1790/4885BTK 596/4885

“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.