SCHEMBL12079450

SCHEMBL12079450

C[C@H]1C[C@@H](c2ccncc2NC(=O)c2nc(-c3c(F)cccc3F)sc2N)C[C@@H](N)[C@]1(C)O

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PIM2 Q9P1W9 19/20 0.72
▸ PIM1 P11309 17/20 0.72
▸ PIM3 Q86V86 17/20 0.72
▸ CYP3A4 P08684 1/20 0.62
▸ CYP2D6 P10635 1/20 0.62
▸ CYP2C9 P11712 1/20 0.62
▸ GSK3B P49841 1/20 0.55

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
SCHEMBL12079359 0.92 PIM2 (0.75) PIM2PIM1PIM3CYP3A4CYP2D6
SCHEMBL12079922 0.88 PIM2 (0.58) PIM2PIM1PIM3CYP3A4CYP2D6
SCHEMBL12080175 0.87 PIM2 (0.56) PIM2PIM1PIM3CYP3A4CYP2D6
SCHEMBL12079637 0.87 PIM1 (0.55) PIM2PIM1PIM3
SCHEMBL12081185 0.85 PIM2 (0.84) PIM2PIM1PIM3
SCHEMBL12079490 0.85 PIM2 (0.84) PIM2PIM1PIM3
SCHEMBL12081159 0.85 PIM3 (0.76) PIM2PIM1PIM3CYP3A4CYP2D6
SCHEMBL16754173 0.85 PIM1 (0.75) PIM2PIM1PIM3
SCHEMBL2694153 0.84 PIM1 (1.00) PIM2PIM1PIM3
SCHEMBL2694159 0.84 PIM1 (1.00) PIM2PIM1PIM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140228363-A1 TETRASUBSTITUTED CYCLOHEXYL COMPOUNDS AS KINASE INHIBITORS NOVARTIS AG (CH) 2014-08-14 — — US disclosed
US-20140228363-A1 TETRASUBSTITUTED CYCLOHEXYL COMPOUNDS AS KINASE INHIBITORS NOVARTIS AG (CH) 2014-08-14 — — US disclosed
US-20120225061-A1 TETRASUBSTITUTED CYCLOHEXYL COMPOUNDS AS KINASE INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2012-09-06 — — US disclosed
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 (2 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-20140228363-A1 TETRASUBSTITUTED CYCLOHEXYL COMPOUNDS AS KINASE INHIBITORS PIM1, PIM2, PIM3 PIM2 2/4885PIM1 1/4885PIM3 3/4885
US-20120225061-A1 TETRASUBSTITUTED CYCLOHEXYL COMPOUNDS AS KINASE INHIBITORS PIM1, PIM2, PIM3 PIM2 2/4885PIM1 1/4885PIM3 3/4885

“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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