SCHEMBL1391856

SCHEMBL1391856

CCOc1nc(NCc2ccco2)nc(Nc2ccc3nc(OCC)[nH]c3c2)n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 10/20 0.64
▸ MAPK1 P28482 5/20 0.64
▸ NPSR1 Q6W5P4 4/20 0.64
▸ KMT2A Q03164 4/20 0.64
▸ ALDH1A1 P00352 4/20 0.64
▸ MEN1 O00255 2/20 0.64
▸ SMN1; SMN2 Q16637 3/20 0.56
▸ HTT P42858 1/20 0.54
▸ KCNH3 Q9ULD8 3/20 0.48
▸ EGFR P00533 1/20 0.47
▸ RECQL P46063 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ PABPC1 P11940 1/20 0.42
▸ EIF4H Q15056 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ SOS1 Q07889 1/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ GAA P10253 1/20 0.41

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
SCHEMBL10282906 0.92 MAPT (0.64) MAPTMAPK1NPSR1KMT2AALDH1A1
SCHEMBL1391587 0.91 MAPT (0.63) MAPTMAPK1NPSR1KMT2AALDH1A1
SCHEMBL1391296 0.85 MAPT (0.64) MAPTMAPK1NPSR1KMT2AALDH1A1
SCHEMBL1391379 0.85 MAPT (0.64) MAPTMAPK1NPSR1KMT2AALDH1A1
SCHEMBL1391398 0.84 MAPT (0.69) MAPTMAPK1NPSR1KMT2AALDH1A1
SCHEMBL1391130 0.84 MAPT (0.54) MAPTMAPK1NPSR1KMT2AALDH1A1
SCHEMBL10282719 0.84 MAPT (0.63) MAPTMAPK1NPSR1KMT2AALDH1A1
SCHEMBL1392083 0.83 MAPT (0.66) MAPTMAPK1NPSR1KMT2AALDH1A1
SCHEMBL1391138 0.83 MAPT (0.64) MAPTMAPK1NPSR1KMT2AALDH1A1
SCHEMBL1391023 0.83 MAPT (0.64) MAPTMAPK1NPSR1KMT2AALDH1A1

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 3 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
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 MAPT 3654/4885MAPK1 2676/4885NPSR1 3221/4885

“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.

Send feedback