SCHEMBL13647849

SCHEMBL13647849

c1ccc(Nc2ncn(-c3ccnc(NC4CCCCC4)c3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 3/20 0.47
▸ KDM4E B2RXH2 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ MAPK10 P53779 4/20 0.44
▸ ADORA3 P0DMS8 5/20 0.43
▸ ADORA2A P29274 5/20 0.43
▸ ADORA1 P30542 5/20 0.43
▸ CDC7 O00311 1/20 0.40
▸ AURKB Q96GD4 1/20 0.40
▸ NPY5R Q15761 1/20 0.40
▸ TYRO3 Q06418 1/20 0.39
▸ PRKD1 Q15139 1/20 0.39
▸ MAPK9 P45984 2/20 0.39
▸ MAPK8 P45983 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
SCHEMBL13513931 0.87 ROCK1 (0.41) HRH4
SCHEMBL13647928 0.83 ACVRL1 (0.57) MAPK10MAPK8
SCHEMBL13647865 0.82 HRH4 (0.36) HRH4ALDH1A1L3MBTL1MAPK10ADORA3
SCHEMBL2863665 0.79 EPHX2 (0.47) MAPK10MAPK8
SCHEMBL13653098 0.78 MAPK10 (0.42) HRH4MAPK10PRKD1MAPK9
SCHEMBL13647999 0.78 JAK3 (0.59) ALDH1A1ADORA3ADORA2AADORA1
SCHEMBL13647853 0.76 HRH4 (0.46) HRH4ALDH1A1L3MBTL1
SCHEMBL2855000 0.76 HRH4 (0.46) HRH4ALDH1A1L3MBTL1
SCHEMBL13647887 0.76 HRH4 (0.46) HRH4ALDH1A1L3MBTL1
SCHEMBL13653062 0.75 HRH4 (0.40) HRH4

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-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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 HRH4 2440/4885KDM4E 1081/4885ALDH1A1 4076/4885

“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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