SCHEMBL2860516

SCHEMBL2860516

CCOC(=O)c1ccc(Nc2ncn(-c3ccnc(Cl)c3)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ THRB P10828 1/20 0.51
▸ MAPT P10636 4/20 0.49
▸ PDPK1 O15530 1/20 0.47
▸ ALK Q9UM73 1/20 0.47
▸ SLC2A1 P11166 1/20 0.46
▸ NPC1 O15118 4/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ JAK2 O60674 1/20 0.43
▸ JAK1 P23458 1/20 0.43
▸ TYK2 P29597 1/20 0.43
▸ JAK3 P52333 1/20 0.43
▸ FGFR1 P11362 1/20 0.43
▸ AXL P30530 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL3956556 0.81 AXL (0.63) RAB9AKMT2AMEN1THRBMAPT
SCHEMBL13513936 0.79 AXL (0.46) RAB9AKMT2AMEN1THRBMAPT
SCHEMBL13647892 0.78 ALDH1A1 (0.47) RAB9AKMT2AMEN1THRBMAPT
SCHEMBL2859108 0.74 CA1 (0.47) —
SCHEMBL23275622 0.74 NPC1 (0.43) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL26436192 0.71 MEN1 (0.63) RAB9AKMT2AMEN1THRBMAPT
SCHEMBL13968498 0.71 EGFR (0.65) RAB9AKMT2AMEN1THRBMAPT
Ethyl-2-Chloropyridine-4-Carboxylate SCHEMBL1425666 0.70 JMJD6 (0.56) RAB9ANPC1SMN1; SMN2LMNAALDH1A1
SCHEMBL12253193 0.70 MEN1 (0.83) RAB9AKMT2AMEN1THRBMAPT
SCHEMBL11600870 0.70 MEN1 (0.72) RAB9AKMT2AMEN1THRBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663211-B1 AMINOTRIAZOLE COMPOUNDS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2010-01-20 — — EP disclosed
EP-1663211-B1 AMINOTRIAZOLE COMPOUNDS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2010-01-20 — — EP disclosed
US-7598245-B2 Aminotriazole compounds useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-10-06 — — US disclosed
US-7598245-B2 Aminotriazole compounds useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-10-06 — — US disclosed
US-7598245-B2 Aminotriazole compounds useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-10-06 — — US disclosed
US-20080096901-A1 Aminotriazole compounds useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2008-04-24 — — US disclosed
US-20080096901-A1 Aminotriazole compounds useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2008-04-24 — — US disclosed
US-20080096901-A1 Aminotriazole compounds useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2008-04-24 — — US disclosed
US-7226920-B2 Aminotriazole compounds useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INC. (US) 2007-06-05 — — US disclosed
US-7226920-B2 Aminotriazole compounds useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INC. (US) 2007-06-05 — — US disclosed
US-7226920-B2 Aminotriazole compounds useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INC. (US) 2007-06-05 — — US disclosed
EP-1663211-A1 AMINOTRIAZOLE COMPOUNDS USEFUL AS INHIBITORS OF PROTEIN KINASES Vertex Pharmaceuticals Incorporated (US) 2006-06-07 — — EP disclosed
US-20050261268-A1 Aminotriazole compounds useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2005-11-24 — — US disclosed
WO-2005013982-A1 AMINOTRIAZOLE COMPOUNDS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-02-17 — — 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-20080096901-A1 Aminotriazole compounds useful as inhibitors of protein kinases MAP3K20, MAP3K5, MAP3K1 RAB9A 4214/4885KMT2A 508/4885MEN1 2530/4885
US-20050261268-A1 Aminotriazole compounds useful as inhibitors of protein kinases MAP3K20, MAP3K5, MAP3K1 RAB9A 4214/4885KMT2A 508/4885MEN1 2530/4885

“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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