SCHEMBL16587802

SCHEMBL16587802

C[C@@H]1C[C@H](c2ccncc2N)C[C@H](C)[C@@H]1S(C)(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PIM3 Q86V86 18/20 0.44
▸ PIM1 P11309 17/20 0.42
▸ PIM2 Q9P1W9 17/20 0.42
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KDM6B O15054 1/20 0.35
▸ KDM4A O75164 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ KDM4D Q6B0I6 1/20 0.35
▸ KDM4C Q9H3R0 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL16587814 0.82 PIM2 (0.44) PIM3PIM1PIM2
SCHEMBL15589263 0.81 PIM3 (0.41) PIM3PIM1PIM2
SCHEMBL16587827 0.79 PIM2 (0.49) PIM3PIM1PIM2
SCHEMBL17282374 0.77 PIM3 (0.37) PIM3PIM1PIM2
SCHEMBL16587817 0.77 PIM1 (0.42) PIM3PIM1PIM2KDM4EALDH1A1
SCHEMBL16587821 0.77 PIM1 (0.42) PIM3PIM1PIM2KDM4EALDH1A1
SCHEMBL16587828 0.75 PIM3 (0.41) PIM3PIM1PIM2
SCHEMBL16587794 0.74 PIM1 (0.39) PIM3PIM1PIM2KDM4EALDH1A1
SCHEMBL16587792 0.74 PIM1 (0.39) PIM3PIM1PIM2KDM4EALDH1A1
SCHEMBL16587825 0.73 PIM1 (0.42) PIM3PIM1PIM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150336960-A1 ARYL-SUBSTITUTED FUSED BICYCLIC PYRIDAZINE COMPOUNDS NOVARTIS AG (CH) 2015-11-26 — — US disclosed
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
US-8987457-B2 Ring-substituted N-pyridinyl amides as kinase inhibitors NOVARTIS AG (CH) 2015-03-24 — — 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 (3 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 PIM3 4/4885PIM1 1/4885PIM2 2/4885
US-20150150873-A1 NOVEL RING-SUBSTITUTED N-PYRIDINYL AMIDES AS KINASE INHIBITORS PIM1, PIM2, MAP3K1 PIM3 4/4885PIM1 1/4885PIM2 2/4885
US-20150336960-A1 ARYL-SUBSTITUTED FUSED BICYCLIC PYRIDAZINE COMPOUNDS PIM1, PIM2, PIM3 PIM3 3/4885PIM1 1/4885PIM2 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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