SCHEMBL12317259

SCHEMBL12317259

O=C(Nc1nc2cc(Cl)cc(NC3CCCC(O)C3)n2n1)c1cccnc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP3K5 Q99683 1/20 0.61
▸ GRM5 P41594 2/20 0.46
▸ TDP2 O95551 1/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ NPC1 O15118 4/20 0.38
▸ RAB9A P51151 4/20 0.38
▸ L3MBTL1 Q9Y468 3/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ KCNMA1 Q12791 1/20 0.38
▸ RORC P51449 1/20 0.37
▸ CDC7 O00311 1/20 0.37
▸ DAPK3 O43293 1/20 0.37
▸ PRKD3 O94806 1/20 0.37
▸ MAP4K4 O95819 1/20 0.37
▸ PAK4 O96013 1/20 0.37

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
Formic Acid SCHEMBL3013738 0.98 MAP3K5 (0.59) MAP3K5GRM5TDP2SMN1; SMN2ALDH1A1
SCHEMBL2790272 0.93 MAP3K5 (0.70) MAP3K5GRM5TDP2SMN1; SMN2ALDH1A1
SCHEMBL2772909 0.91 MAP3K5 (0.70) MAP3K5GRM5TDP2SMN1; SMN2ALDH1A1
SCHEMBL2788349 0.90 MAP3K5 (0.69) MAP3K5GRM5TDP2SMN1; SMN2ALDH1A1
SCHEMBL2771646 0.90 MAP3K5 (0.60) MAP3K5GRM5TDP2SMN1; SMN2ALDH1A1
SCHEMBL2807203 0.89 MAP3K5 (0.75) MAP3K5GRM5TDP2SMN1; SMN2ALDH1A1
SCHEMBL12317257 0.88 MAP3K5 (0.81) MAP3K5GRM5SMN1; SMN2L3MBTL1JAK2
Formic Acid SCHEMBL2790328 0.86 MAP3K5 (0.78) MAP3K5GRM5SMN1; SMN2L3MBTL1JAK2
SCHEMBL2788750 0.80 MAP3K5 (0.93) MAP3K5GRM5SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL2790048 0.79 MAP3K5 (0.53) MAP3K5TDP2SMN1; SMN2ALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120238565-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS MERCK SERONO SA (CH) 2012-09-20 — — US disclosed
US-8263595-B2 Triazolopyridine compounds and their use as ask inhibitors MERCK SERONO SA (CH) 2012-09-11 — — US disclosed
US-8263595-B2 Triazolopyridine compounds and their use as ask inhibitors MERCK SERONO SA (CH) 2012-09-11 — — US disclosed
US-20100197681-A1 Triazolopyridine Compounds and Their Use as Ask Inhibitors MERCK SERONO SA (CH) 2010-08-05 — — US disclosed
US-20100197681-A1 Triazolopyridine Compounds and Their Use as Ask Inhibitors MERCK SERONO SA (CH) 2010-08-05 — — US disclosed
WO-2009027283-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS MERCK SERONO S.A. (CH) 2009-03-05 — — WO 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-20100197681-A1 Triazolopyridine Compounds and Their Use as Ask Inhibitors MAP3K5, MAPKAPK5, MAP3K9 MAP3K5 1/4885GRM5 1597/4885TDP2 57/4885
US-20120238565-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS MAP3K5, MAPKAPK5, MAP3K9 MAP3K5 1/4885GRM5 1597/4885TDP2 57/4885

“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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