SCHEMBL3175220

SCHEMBL3175220

COc1ccc(-c2ccnc3nc(N)nn23)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 13/20 0.68
▸ KDM4E B2RXH2 13/20 0.68
▸ HPGD P15428 6/20 0.68
▸ GAA P10253 6/20 0.68
▸ L3MBTL1 Q9Y468 4/20 0.68
▸ GLA P06280 2/20 0.68
▸ NPC1 O15118 1/20 0.68
▸ TP53 P04637 1/20 0.68
▸ RAB9A P51151 1/20 0.68
▸ HSD17B10 Q99714 1/20 0.68
▸ HTT P42858 2/20 0.65
▸ NPSR1 Q6W5P4 2/20 0.64
▸ LMNA P02545 1/20 0.64
▸ JAK1 P23458 1/20 0.60
▸ KMT2A Q03164 2/20 0.59
▸ MEN1 O00255 1/20 0.59
▸ MAPT P10636 4/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ NTRK1 P04629 2/20 0.52
▸ PIM1 P11309 2/20 0.52

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
SCHEMBL5442789 0.84 KDM4E (0.59) ALDH1A1KDM4EHPGDGAAL3MBTL1
SCHEMBL3163773 0.83 KDM4E (0.77) ALDH1A1KDM4EHPGDGAAL3MBTL1
SCHEMBL3169932 0.81 KDM4E (0.73) ALDH1A1KDM4EHPGDGAAL3MBTL1
SCHEMBL14491422 0.81 ALDH1A1 (0.62) ALDH1A1KDM4EHPGDGAAL3MBTL1
SCHEMBL5445204 0.80 KDM4E (0.73) ALDH1A1KDM4EHPGDGAAL3MBTL1
SCHEMBL30263726 0.80 TUBB4A (0.69) ALDH1A1KDM4EHPGDGAAL3MBTL1
SCHEMBL3170154 0.79 ALDH1A1 (0.59) ALDH1A1KDM4EHPGDGAAL3MBTL1
SCHEMBL14491502 0.76 KDM4E (0.71) ALDH1A1KDM4EHPGDGAAL3MBTL1
SCHEMBL3090231 0.75 JAK1 (1.00) ALDH1A1KDM4EHPGDHTTJAK1
SCHEMBL3161525 0.75 KDM4E (0.64) ALDH1A1KDM4EHPGDGAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1630165-B1 [1,2,4]TRIAZOLO[1,5-a]PYRIMIDIN-2-YLUREA DERIVATIVE AND USE THEREOF NIPPON KAYAKU KK (JP) 2010-03-31 — — EP disclosed
US-7598244-B2 [1,2,4]triazolo[1,5,a]pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-10-06 — — US disclosed
US-20070129383-A1 Substituted 2-amino-[1,2,4]triazolo[1,5-a]pyrimidine derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-06-07 — — US disclosed
US-20070129383-A1 Substituted 2-amino-[1,2,4]triazolo[1,5-a]pyrimidine derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-06-07 — — US disclosed
US-20070129383-A1 Substituted 2-amino-[1,2,4]triazolo[1,5-a]pyrimidine derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-06-07 — — US disclosed
US-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-01-11 — — US disclosed
EP-1674454-A1 SUBSTITUTED 2-AMINO- 1,2,4 TRIAZOLO 1,5-a PYRIMIDINE DERIVATIVE AND USE THEREOF Nippon Kayaku Kabushiki Kaisha (JP) 2006-06-28 — — EP disclosed
EP-1630165-A1 [1,2,4 ]TRIAZOLO [1,5-A]PYRIMIDIN-2-YLUREA DERIVATIVE AND USE THEREOF Nippon Kayaku Kabushiki Kaisha (JP) 2006-03-01 — — EP 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-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof HLA-C, TPMT, TAP1 ALDH1A1 208/4885KDM4E 2344/4885HPGD 2052/4885
US-20070129383-A1 Substituted 2-amino-[1,2,4]triazolo[1,5-a]pyrimidine derivative and use thereof ADORA1, ADORA2B, ADORA3 ALDH1A1 75/4885KDM4E 3781/4885HPGD 1034/4885

“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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