SCHEMBL12092665

SCHEMBL12092665

C[C@H]1C[C@@H](c2ccncc2NC(=O)c2nc(Br)c(F)cc2N)C[C@@H](O)[C@]1(C)O

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.70
▸ CYP2D6 P10635 1/20 0.70
▸ CYP2C9 P11712 1/20 0.70
▸ PIM2 Q9P1W9 18/20 0.69
▸ PIM3 Q86V86 18/20 0.69
▸ PIM1 P11309 17/20 0.69
▸ GSK3B P49841 1/20 0.69

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
SCHEMBL12079260 0.87 CYP3A4 (0.78) CYP3A4CYP2D6CYP2C9PIM2PIM3
SCHEMBL12080220 0.87 PIM2 (0.69) CYP3A4CYP2D6CYP2C9PIM2PIM3
SCHEMBL12092822 0.86 PIM2 (0.82) CYP3A4CYP2D6CYP2C9PIM2PIM3
SCHEMBL12079301 0.86 PIM2 (0.82) CYP3A4CYP2D6CYP2C9PIM2PIM3
SCHEMBL12079877 0.85 CYP3A4 (0.53) CYP3A4CYP2D6CYP2C9PIM2PIM3
SCHEMBL12080691 0.85 PIM2 (0.71) CYP3A4CYP2D6CYP2C9PIM2PIM3
SCHEMBL12080756 0.84 PIM2 (0.78) CYP3A4CYP2D6CYP2C9PIM2PIM3
SCHEMBL12081144 0.84 CYP3A4 (0.64) CYP3A4CYP2D6CYP2C9PIM2PIM3
SCHEMBL12080232 0.84 PIM2 (0.74) CYP3A4CYP2D6CYP2C9PIM2PIM3
SCHEMBL12080740 0.84 PIM2 (0.81) CYP3A4CYP2D6CYP2C9PIM2PIM3

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-20120225061-A1 TETRASUBSTITUTED CYCLOHEXYL COMPOUNDS AS KINASE INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2012-09-06 — — 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-20120225061-A1 TETRASUBSTITUTED CYCLOHEXYL COMPOUNDS AS KINASE INHIBITORS PIM1, PIM2, PIM3 CYP3A4 1066/4885CYP2D6 1610/4885CYP2C9 1936/4885

“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.

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