SCHEMBL3170154

SCHEMBL3170154

Nc1nc2nccc(-c3ccc(OCc4ccccc4)cc3)n2n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 12/20 0.59
▸ KDM4E B2RXH2 11/20 0.59
▸ HPGD P15428 7/20 0.59
▸ GAA P10253 4/20 0.59
▸ RAB9A P51151 2/20 0.59
▸ L3MBTL1 Q9Y468 2/20 0.59
▸ NPC1 O15118 1/20 0.59
▸ TP53 P04637 1/20 0.59
▸ GLA P06280 1/20 0.59
▸ HSD17B10 Q99714 1/20 0.59
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ MAPT P10636 5/20 0.50
▸ NPSR1 Q6W5P4 3/20 0.50
▸ HTT P42858 1/20 0.50
▸ MGAM O43451 1/20 0.48
▸ SI P14410 1/20 0.48
▸ MGAM2 Q2M2H8 1/20 0.48
▸ POLB P06746 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ KMT2A Q03164 2/20 0.46

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
SCHEMBL5445204 0.83 KDM4E (0.73) ALDH1A1KDM4EHPGDGAARAB9A
SCHEMBL3175220 0.79 ALDH1A1 (0.68) ALDH1A1KDM4EHPGDGAARAB9A
SCHEMBL3169932 0.77 KDM4E (0.73) ALDH1A1KDM4EHPGDGAARAB9A
SCHEMBL3167118 0.77 KDM4E (0.64) ALDH1A1KDM4EHPGDGAARAB9A
SCHEMBL15654688 0.77 NUDT1 (0.66) ALDH1A1KDM4EHPGDGAAMDM2
SCHEMBL9566532 0.70 DHFR (0.73) GAARAB9AL3MBTL1NPC1SMN1; SMN2
SCHEMBL15688501 0.70 CYP1A2 (0.62) GAARAB9AL3MBTL1NPC1TP53
SCHEMBL3161525 0.69 KDM4E (0.64) ALDH1A1KDM4EHPGDGAARAB9A
SCHEMBL3585386 0.69 JAK1 (0.70) ALDH1A1KDM4EHPGDHTTMAOB
SCHEMBL15655892 0.69 EGLN2 (0.60) ALDH1A1KDM4EHPGDGAA

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 4 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-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-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 (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-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

“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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