SCHEMBL16705787

SCHEMBL16705787

COC(=O)CCO[C@H]1[C@H](C)C[C@H](c2ccncc2N)C[C@@H]1C

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 19/20 0.42
▸ PIM3 Q86V86 18/20 0.42
▸ PIM2 Q9P1W9 18/20 0.42
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ GAA P10253 1/20 0.39

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
SCHEMBL16587824 1.00 PIM1 (0.42) PIM1PIM3PIM2KDM4EALDH1A1
SCHEMBL15589002 0.87 PIM1 (0.36) PIM1PIM3PIM2
SCHEMBL16588146 0.87 PIM1 (0.36) PIM1PIM3PIM2
SCHEMBL16587825 0.80 PIM1 (0.42) PIM1PIM3PIM2
SCHEMBL16587827 0.80 PIM2 (0.49) PIM1PIM3PIM2
SCHEMBL16587817 0.79 PIM1 (0.42) PIM1PIM3PIM2KDM4EALDH1A1
SCHEMBL16587821 0.79 PIM1 (0.42) PIM1PIM3PIM2KDM4EALDH1A1
SCHEMBL16587794 0.78 PIM1 (0.39) PIM1PIM3PIM2KDM4EALDH1A1
SCHEMBL16587792 0.78 PIM1 (0.39) PIM1PIM3PIM2KDM4EALDH1A1
SCHEMBL16587819 0.78 PIM2 (0.49) PIM1PIM3PIM2

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-9173883-B2 Ring-substituted N-pyridinyl amides as kinase inhibitors NOVARTIS AG (CH) 2015-11-03 — — US disclosed
US-20150150873-A1 NOVEL RING-SUBSTITUTED N-PYRIDINYL AMIDES AS KINASE INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2015-06-04 — — US disclosed
US-20150133473-A1 NOVEL RING-SUBSTITUTED N-PYRIDINYL AMIDES AS KINASE INHIBITORS NOVARTIS AG (CH) 2015-05-14 — — 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-20150133473-A1 NOVEL RING-SUBSTITUTED N-PYRIDINYL AMIDES AS KINASE INHIBITORS PIM1, PIM2, MAP3K1 PIM1 1/4885PIM3 4/4885PIM2 2/4885
US-20150150873-A1 NOVEL RING-SUBSTITUTED N-PYRIDINYL AMIDES AS KINASE INHIBITORS PIM1, PIM2, MAP3K1 PIM1 1/4885PIM3 4/4885PIM2 2/4885

“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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