SCHEMBL12296405

SCHEMBL12296405

C=C(C)N1CCN([C@H]2C[C@@H](c3nc(I)c4c(N)nccn43)C2)CC1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 6/20 0.48
IGF1R P08069 14/20 0.45
CYP3A4 P08684 5/20 0.45
MAPK3 P27361 1/20 0.45
MAPK1 P28482 1/20 0.45
MAPK6 Q16659 1/20 0.45

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
SCHEMBL6937533 0.91 TNK2 (0.47) TNK2IGF1RCYP3A4MAPK3MAPK1
SCHEMBL400538 0.91 TNK2 (0.47) TNK2IGF1RCYP3A4MAPK3MAPK1
SCHEMBL10189260 0.87 TNK2 (0.61) TNK2IGF1RCYP3A4MAPK3MAPK1
SCHEMBL2967554 0.87 TNK2 (0.61) TNK2IGF1RCYP3A4MAPK3MAPK1
SCHEMBL398156 0.87 TNK2 (0.61) TNK2IGF1RCYP3A4MAPK3MAPK1
SCHEMBL27678730 0.82 TNK2 (0.46) TNK2IGF1RCYP3A4MAPK3MAPK1
SCHEMBL2574212 0.82 TNK2 (0.43) TNK2IGF1RCYP3A4MAPK3MAPK1
SCHEMBL19264285 0.80 TNK2 (0.48) TNK2IGF1RCYP3A4MAPK3MAPK1
SCHEMBL402204 0.78 TNK2 (0.37) TNK2IGF1RCYP3A4MAPK3MAPK1
SCHEMBL6938221 0.78 TNK2 (0.37) TNK2IGF1RCYP3A4MAPK3MAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8314111-B2 Fused bicyclic motor inhibitors OSI Pharmaceuticals, LLC (US) 2012-11-20 US disclosed
US-20110218183-A1 Fused Bicyclic mTOR Inhibitors OSI Pharmaceuticals, LLC 2011-09-08 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-20110218183-A1 Fused Bicyclic mTOR Inhibitors MTOR, RICTOR, MAPKAP1 TNK2 669/4885IGF1R 1033/4885CYP3A4 3203/4885

“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.