SCHEMBL12079173

SCHEMBL12079173

C[C@H]1C[C@@H](c2ccncc2NC(=O)c2ccnc(-c3c(F)cccc3F)n2)C[C@@H](O)[C@]1(C)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PIM2 Q9P1W9 19/20 1.00
▸ PIM1 P11309 18/20 1.00
▸ PIM3 Q86V86 18/20 1.00
▸ CYP3A4 P08684 1/20 0.76
▸ CYP2D6 P10635 1/20 0.76
▸ CYP2C9 P11712 1/20 0.76
▸ GSK3B P49841 2/20 0.61
▸ PRKCQ Q04759 1/20 0.53
▸ KCNH2 Q12809 1/20 0.53
▸ PKN1 Q16512 1/20 0.53

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
SCHEMBL15947843 0.95 PIM2 (0.90) PIM2PIM1PIM3CYP3A4CYP2D6
SCHEMBL12079484 0.90 PIM2 (0.81) PIM2PIM1PIM3CYP3A4CYP2D6
SCHEMBL12079560 0.90 PIM2 (0.81) PIM2PIM1PIM3CYP3A4CYP2D6
SCHEMBL12079366 0.88 PIM2 (0.79) PIM2PIM1PIM3CYP3A4CYP2D6
SCHEMBL12079130 0.88 PIM2 (0.79) PIM2PIM1PIM3CYP3A4CYP2D6
SCHEMBL12079758 0.88 PIM2 (0.78) PIM2PIM1PIM3CYP3A4CYP2D6
SCHEMBL12080005 0.88 PIM2 (0.78) PIM2PIM1PIM3CYP3A4CYP2D6
SCHEMBL15947839 0.88 PIM2 (0.78) PIM2PIM1PIM3CYP3A4CYP2D6
SCHEMBL12080567 0.86 CYP3A4 (1.00) PIM2PIM1PIM3CYP3A4CYP2D6
SCHEMBL12080355 0.86 CYP3A4 (1.00) PIM2PIM1PIM3CYP3A4CYP2D6

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 3 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-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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