SCHEMBL6502250

SCHEMBL6502250

N#Cc1nn(C2CCCCO2)c2ccc(-c3cncc4c3ccn4C(=O)O)cc12

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
KDM1A O60341 2/20 0.37
ATR Q13535 2/20 0.34
ELANE P08246 2/20 0.33
MCL1 Q07820 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
CREBBP Q92793 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
SLC22A12 Q96S37 1/20 0.31
CYP4F2 P78329 2/20 0.31
CYP4A11 Q02928 2/20 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
SCHEMBL6503097 0.89 PIK3CD (0.36) RXRARXRBRXRGKDM1AATR
SCHEMBL6503466 0.85 RXRA (0.38) RXRARXRBRXRGATRMCL1
SCHEMBL6510117 0.76 CYP4F2 (0.34) RXRARXRBRXRGKDM1AATR
SCHEMBL6505740 0.75 PIK3CD (0.37) RXRARXRBRXRGATRCYP11B1
SCHEMBL6500737 0.74 CYP4F2 (0.33) RXRARXRBRXRGATRCYP11B1
SCHEMBL6501860 0.74 HTR2C (0.39) RXRARXRBRXRG
SCHEMBL6509247 0.73 HTR2C (0.34) RXRARXRBRXRG
SCHEMBL659294 0.72 ATR (0.38) RXRARXRBRXRGATRELANE
SCHEMBL25473050 0.70 ATR (0.36) RXRARXRBRXRGATRCYP4F2
SCHEMBL19204829 0.70 ELANE (0.43) ATRELANE

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 RXRA 2748/4885RXRB 2441/4885RXRG 2226/4885

“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.