SCHEMBL6501956

SCHEMBL6501956

CCN(Cc1cncc(-c2ccc3c(c2)c(-c2ncc(C(=O)NCc4cccnc4)[nH]2)nn3C2CCCCO2)c1C)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.34
PIK3CA P42336 3/20 0.33
DGAT2 Q96PD7 1/20 0.33
S1PR3 Q99500 2/20 0.33
MAPK1 P28482 1/20 0.32
ALDH1A1 P00352 3/20 0.32
NAMPT P43490 2/20 0.32
RAB9A P51151 1/20 0.32
CHIT1 Q13231 1/20 0.32
CHIA Q9BZP6 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
MCL1 Q07820 1/20 0.32
PKM P14618 1/20 0.32
USP2 O75604 1/20 0.32
MAPT P10636 1/20 0.32
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
ALOX12 P18054 1/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 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
SCHEMBL6508214 0.91 ATR (0.34) RXRARXRBRXRG
SCHEMBL6510591 0.91 PPARG (0.33) PPARGPIK3CADGAT2S1PR3MAPK1
SCHEMBL6508925 0.89 RXRA (0.32) DGAT2RXRARXRBRXRG
SCHEMBL6506708 0.88 RXRA (0.31) RXRARXRBRXRG
SCHEMBL6508245 0.88 RAB9A (0.35) PPARGALDH1A1RAB9AMAPTKDM4E
SCHEMBL6508778 0.88 CYP4F2 (0.33) RXRARXRBRXRG
SCHEMBL6504318 0.86 RXRA (0.31) RXRARXRBRXRG
SCHEMBL6510723 0.86 CNR2 (0.31) RXRARXRBRXRG
SCHEMBL6503887 0.85 MAPT (0.33) MAPK1ALDH1A1RAB9AUSP2MAPT
SCHEMBL6508954 0.85 MAP3K8 (0.31) RXRARXRBRXRG

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 PPARG 547/4885PIK3CA 191/4885DGAT2 3528/4885

“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.