SCHEMBL1391281

SCHEMBL1391281

CCOc1nc(NCc2ccco2)nc(Nc2ccc3[nH]c(-c4cccnc4)nc3c2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.56
▸ MAPT P10636 6/20 0.56
▸ MAPK1 P28482 5/20 0.56
▸ NPSR1 Q6W5P4 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ HTT P42858 1/20 0.47
▸ TP53 P04637 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ RECQL P46063 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ HSD17B10 Q99714 4/20 0.42
▸ HPGD P15428 4/20 0.42
▸ SHMT2 P34897 1/20 0.42
▸ KIT P10721 1/20 0.42
▸ KCNH3 Q9ULD8 3/20 0.41
▸ EGFR P00533 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ TSHR P16473 1/20 0.40

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
SCHEMBL1391207 0.86 MAPT (0.55) ALDH1A1MAPTMAPK1NPSR1KMT2A
SCHEMBL1391105 0.85 MAPT (0.54) ALDH1A1MAPTMAPK1NPSR1KMT2A
SCHEMBL10282906 0.85 MAPT (0.64) ALDH1A1MAPTMAPK1NPSR1KMT2A
SCHEMBL10282719 0.84 MAPT (0.63) ALDH1A1MAPTMAPK1NPSR1KMT2A
SCHEMBL1391051 0.84 MAPT (0.56) ALDH1A1MAPTMAPK1NPSR1KMT2A
SCHEMBL1390766 0.84 MAPT (0.56) ALDH1A1MAPTMAPK1NPSR1KMT2A
Hydrochloric Acid SCHEMBL1390771 0.83 MAPT (0.55) ALDH1A1MAPTMAPK1NPSR1KMT2A
SCHEMBL1390817 0.83 MAPT (0.70) ALDH1A1MAPTMAPK1NPSR1KMT2A
SCHEMBL1390906 0.83 MAPT (0.57) ALDH1A1MAPTMAPK1NPSR1KMT2A
SCHEMBL1390813 0.81 MAPT (0.59) ALDH1A1MAPTMAPK1NPSR1KMT2A

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
US-20120009151-A1 Triazines And Related Compounds Having Antiviral Activity, Compositions And Methods Thereof PROGENICS PHARMACEUTICALS, INC. (US) 2012-01-12 — — US disclosed
US-20120009151-A1 Triazines And Related Compounds Having Antiviral Activity, Compositions And Methods Thereof PROGENICS PHARMACEUTICALS, INC. (US) 2012-01-12 — — US disclosed
EP-2231624-A2 TRIAZINES AND RELATED COMPOUNDS HAVING ANTIVIRAL ACTIVITY, COMPOSITIONS AND METHODS THEREOF Progenics Pharmaceuticals, Inc. (US) 2010-09-29 — — EP disclosed
WO-2009091388-A2 TRIAZINES AND RELATED COMPOUNDS HAVING ANTIVIRAL ACTIVITY, COMPOSITIONS AND METHODS THEREOF PROGENICS PHARMACEUTICALS, INC. (US) 2009-07-23 — — 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 (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-20120009151-A1 Triazines And Related Compounds Having Antiviral Activity, Compositions And Methods Thereof HAVCR2, ZC3HAV1, MAVS ALDH1A1 2382/4885MAPT 3654/4885MAPK1 2676/4885

“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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