SCHEMBL6506318

SCHEMBL6506318

CCN(Cc1cncc(-c2ccc3c(c2)c(-c2ncc(C(=O)N4CCN(Cc5ccccn5)CC4)[nH]2)nn3C2CCCCO2)c1C)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
MAP3K8 P41279 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL6505128 0.93 MAP3K8 (0.33) TACR3ALDH1A1MAP3K8MEN1KMT2A
SCHEMBL6504318 0.90 RXRA (0.31) MAP3K8
SCHEMBL6502067 0.90 MEN1 (0.34) ALDH1A1MAPTMAPK1MEN1KMT2A
SCHEMBL6507862 0.90 TBK1 (0.31)
SCHEMBL6507048 0.90 MAP3K8 (0.31) MAP3K8
SCHEMBL6508954 0.90 MAP3K8 (0.31) MAP3K8
SCHEMBL6504155 0.89 FASN (0.35)
SCHEMBL6503065 0.88 GSK3B (0.31)
SCHEMBL6510591 0.88 PPARG (0.33) KDM4EALDH1A1TSHRMAPK1MAP3K8
SCHEMBL6505126 0.88 RXRA (0.30)

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 TACR3 4042/4885KDM4E 846/4885ALDH1A1 3447/4885

“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.