SCHEMBL3604795

SCHEMBL3604795

O=c1ccc2ccc(F)c3c2n1C(CO)CC3

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 3/20 0.37
CCND1 P24385 3/20 0.37
CCNE2 O96020 2/20 0.33
PRKACA P17612 2/20 0.33
PRKACG P22612 2/20 0.33
PRKACB P22694 2/20 0.33
CCNE1 P24864 2/20 0.33
CDK2 P24941 2/20 0.33
MAP3K5 Q99683 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL3783120 0.86 AADAT (0.30)
SCHEMBL2819610 0.86 AADAT (0.30)
SCHEMBL3617948 0.79 MTOR (0.32) MAP3K5HDAC1HDAC8HDAC6
SCHEMBL3605732 0.79 KCNH2 (0.31)
SCHEMBL3607054 0.79 KDM1A (0.32)
SCHEMBL3791778 0.74 BPTF (0.33)
SCHEMBL3778688 0.74 BPTF (0.33)
SCHEMBL3606058 0.74 CNR1 (0.35)
SCHEMBL2822335 0.70 KCNH2 (0.30)
SCHEMBL4212847 0.69 KDM1A (0.32)

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-20100087424-A1 TRICYCLIC NITROGEN CONTAINING HETEROCYCLES AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED 2010-04-08 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-20100087424-A1 TRICYCLIC NITROGEN CONTAINING HETEROCYCLES AS ANTIBACTERIAL AGENTS NRDC, NDC1, NANS CDK4 344/4885CCND1 441/4885CCNE2 513/4885

“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.