SCHEMBL5447355

SCHEMBL5447355

COc1ccc(-c2cc(N)nc3ncnn23)cc1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 13/20 0.67
▸ ALDH1A1 P00352 11/20 0.67
▸ HPGD P15428 7/20 0.67
▸ GAA P10253 3/20 0.67
▸ SMN1; SMN2 Q16637 3/20 0.67
▸ LMNA P02545 2/20 0.67
▸ GLA P06280 1/20 0.67
▸ EGLN2 Q96KS0 5/20 0.64
▸ HSD17B10 Q99714 4/20 0.52
▸ TSHR P16473 2/20 0.52
▸ HTT P42858 1/20 0.50
▸ MAPT P10636 3/20 0.49
▸ MAPK1 P28482 3/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.47
▸ DYRK1A Q13627 1/20 0.46
▸ ALPL P05186 1/20 0.44
▸ ALPG P10696 1/20 0.44
▸ CLK1 P49759 1/20 0.44

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
SCHEMBL18077064 0.78 EGLN2 (1.00) EGLN2
SCHEMBL24393353 0.70 KDM4E (0.52) KDM4EALDH1A1HPGDGAASMN1; SMN2
SCHEMBL8124545 0.69 KDM4E (0.51) KDM4EALDH1A1HPGDGAASMN1; SMN2
SCHEMBL22342534 0.69 KDM4E (1.00) KDM4EALDH1A1HPGDGAASMN1; SMN2
SCHEMBL7708814 0.68 DYRK1A (0.65) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL5096009 0.68 EGLN2 (0.50) KDM4EALDH1A1HPGDGAASMN1; SMN2
SCHEMBL3175220 0.68 ALDH1A1 (0.68) KDM4EALDH1A1HPGDGAASMN1; SMN2
SCHEMBL24392490 0.67 KDM4E (0.48) KDM4EALDH1A1HPGDGAASMN1; SMN2
SCHEMBL2178398 0.67 DYRK1A (0.61) KDM4EALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL612383 0.65 ALDH1A1 (0.45) KDM4EALDH1A1HPGDGAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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-20070129383-A1 Substituted 2-amino-[1,2,4]triazolo[1,5-a]pyrimidine derivative and use thereof ADORA1, ADORA2B, ADORA3 KDM4E 3781/4885ALDH1A1 75/4885HPGD 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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