SCHEMBL6500737

SCHEMBL6500737

CCOCc1cncc(-c2ccc3c(c2)c(C#N)nn3C2CCCCO2)c1C

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.33
CYP4A11 Q02928 2/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
ATR Q13535 3/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
MAP3K8 P41279 1/20 0.31
RET P07949 1/20 0.30
CREBBP Q92793 1/20 0.30
PRKCQ Q04759 1/20 0.30
PRKCD Q05655 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
SCHEMBL6510117 0.93 CYP4F2 (0.34) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL6504399 0.86 CYP4F2 (0.33) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL6509247 0.82 HTR2C (0.34) RXRARXRBRXRGRET
SCHEMBL6501860 0.81 HTR2C (0.39) RXRARXRBRXRGRET
SCHEMBL6512277 0.79 MAP3K8 (0.47) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL6504521 0.78 CYP4F2 (0.35) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL6502250 0.74 RXRA (0.38) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL6503097 0.74 PIK3CD (0.36) RXRARXRBRXRGATRRET
SCHEMBL12900076 0.73 RXRA (0.33) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL6506782 0.72 MAP3K8 (0.48) CYP4F2CYP4A11RXRARXRBRXRG

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 CYP4F2 4113/4885CYP4A11 1550/4885RXRA 2748/4885

“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.