SCHEMBL6511299

SCHEMBL6511299

CCN(Cc1cncc(-c2ccc3c(c2)c(-c2nc(-c4cccc(OC)c4)c[nH]2)nn3C2CCCCO2)c1C)C(=O)OC(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSPO P30536 2/20 0.32
RXFP1 Q9HBX9 1/20 0.31
CLK2 P49760 1/20 0.31
ALDH1A1 P00352 3/20 0.30
HPGD P15428 2/20 0.30
TSHR P16473 2/20 0.30
HSD17B10 Q99714 2/20 0.30
TP53 P04637 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
ALOX15 P16050 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30
AXL P30530 1/20 0.30
FLT3 P36888 1/20 0.30
TYRO3 Q06418 1/20 0.30
MERTK Q12866 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
SCHEMBL6506206 0.95 TSPO (0.32) TSPOALDH1A1HPGD
SCHEMBL6503816 0.94 RXRA (0.31)
SCHEMBL6503689 0.93 GAA (0.33) CLK2
SCHEMBL6504585 0.92 AAK1 (0.31) TSPO
SCHEMBL6501988 0.91 HTR2C (0.32)
SCHEMBL6507148 0.85 MAP3K8 (0.40)
SCHEMBL6502580 0.85 KRAS (0.33)
SCHEMBL6508505 0.85 MAP3K8 (0.38)
SCHEMBL6505280 0.84 HTR2C (0.32)
SCHEMBL12886334 0.84 MAP3K8 (0.41) ALDH1A1HPGDTP53MEN1KMT2A

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 TSPO 4101/4885RXFP1 2598/4885CLK2 492/4885

“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.