SCHEMBL1391220

SCHEMBL1391220

CCOc1nc(NCc2ccco2)nc(Nc2ccc3c(c2)nc(CN2CCOCC2)n3C)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.54
▸ MAPK1 P28482 3/20 0.54
▸ NPSR1 Q6W5P4 3/20 0.54
▸ ALDH1A1 P00352 3/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ POLB P06746 1/20 0.52
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ TSHR P16473 3/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ GAA P10253 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ HTT P42858 1/20 0.45
▸ LMNA P02545 2/20 0.45
▸ RECQL P46063 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ THRB P10828 1/20 0.43
▸ KDM4E B2RXH2 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
SCHEMBL1392490 0.86 POLB (0.52) MAPTMAPK1ALDH1A1KMT2AMEN1
SCHEMBL1390848 0.83 POLB (0.58) MAPTMAPK1ALDH1A1KMT2AMEN1
SCHEMBL1390750 0.83 MAPT (0.54) MAPTMAPK1NPSR1ALDH1A1KMT2A
SCHEMBL1391122 0.83 MAPT (0.57) MAPTMAPK1NPSR1ALDH1A1KMT2A
SCHEMBL1391231 0.79 MAPT (0.57) MAPTMAPK1NPSR1ALDH1A1KMT2A
SCHEMBL1391298 0.79 SHMT2 (0.67) MAPTMAPK1NPSR1ALDH1A1KMT2A
SCHEMBL1391179 0.79 MAPT (0.68) MAPTMAPK1NPSR1ALDH1A1KMT2A
SCHEMBL1390732 0.78 MAPT (0.64) MAPTMAPK1NPSR1ALDH1A1KMT2A
SCHEMBL1391311 0.77 MAPT (0.63) MAPTMAPK1NPSR1ALDH1A1KMT2A
Trifluoroacetic Acid SCHEMBL1392060 0.77 MAPT (0.47) MAPTMAPK1NPSR1ALDH1A1KMT2A

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 5 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
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