SCHEMBL6510591

SCHEMBL6510591

CCN(Cc1cncc(-c2ccc3c(c2)c(-c2ncc(C(=O)NCc4ccccn4)[nH]2)nn3C2CCCCO2)c1C)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
DGAT2 Q96PD7 1/20 0.33
HTT P42858 1/20 0.33
PIK3CA P42336 1/20 0.31
RAB9A P51151 3/20 0.31
NPC1 O15118 2/20 0.31
MAP3K8 P41279 4/20 0.31
ATR Q13535 1/20 0.31
LMNA P02545 2/20 0.31
HPGD P15428 2/20 0.31
ALDH1A1 P00352 3/20 0.31
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
S1PR3 Q99500 2/20 0.31
KDM4E B2RXH2 2/20 0.30
PKM P14618 1/20 0.30
TSHR P16473 1/20 0.30
ALOX15 P16050 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
SCHEMBL6508214 0.91 ATR (0.34) MAP3K8ATR
SCHEMBL6501956 0.91 PPARG (0.34) PPARGDGAT2PIK3CARAB9ALMNA
SCHEMBL6508925 0.89 RXRA (0.32) DGAT2ATR
SCHEMBL6506318 0.88 TACR3 (0.34) MAP3K8ALDH1A1MEN1MAPK1KMT2A
SCHEMBL6506708 0.88 RXRA (0.31) ATR
SCHEMBL6508245 0.88 RAB9A (0.35) PPARGSMN1; SMN2RAB9AATRHPGD
SCHEMBL6508778 0.88 CYP4F2 (0.33) ATR
SCHEMBL6505126 0.86 RXRA (0.30)
SCHEMBL6505505 0.86 ALDH1A1 (0.38) SMN1; SMN2DGAT2HTTLMNAHPGD
SCHEMBL6505088 0.86 ALDH1A1 (0.38) SMN1; SMN2DGAT2HTTLMNAHPGD

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 547/4885SMN1; SMN2 3535/4885DGAT2 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.