SCHEMBL6505128

SCHEMBL6505128

CCN(Cc1cncc(-c2ccc3c(c2)c(-c2ncc(C(=O)N4CCN(Cc5ccccc5)CC4)[nH]2)nn3C2CCCCO2)c1C)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP3K8 P41279 1/20 0.33
ATR Q13535 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP46A1 Q9Y6A2 1/20 0.31
MIF P14174 1/20 0.31
BDKRB1 P46663 1/20 0.31
PRKAA2 P54646 1/20 0.31
HPGD P15428 1/20 0.31
TACR3 P29371 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
SCHEMBL6506318 0.93 TACR3 (0.34) MAP3K8MEN1KMT2AALDH1A1TACR3
SCHEMBL6504318 0.92 RXRA (0.31) MAP3K8ATR
SCHEMBL6502067 0.92 MEN1 (0.34) ATRMEN1KMT2ALMNASMN1; SMN2
SCHEMBL6507862 0.92 TBK1 (0.31) ATR
SCHEMBL6508954 0.92 MAP3K8 (0.31) MAP3K8ATR
SCHEMBL6504155 0.91 FASN (0.35) ATR
SCHEMBL6503065 0.90 GSK3B (0.31) ATR
SCHEMBL6505126 0.90 RXRA (0.30)
SCHEMBL6510075 0.89 ALDH1A1 (0.32) ALDH1A1CYP46A1
SCHEMBL6502649 0.88 ATR (0.32) ATRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAP3K8 143/4885ATR 879/4885MEN1 3564/4885

“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.