SCHEMBL1390891

SCHEMBL1390891

COc1ccc(Nc2ncnc(NCc3ccco3)n2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.73
MAPT P10636 11/20 0.72
ALDH1A1 P00352 7/20 0.72
KMT2A Q03164 7/20 0.72
MEN1 O00255 6/20 0.72
MAPK1 P28482 4/20 0.72
NPSR1 Q6W5P4 2/20 0.72
SMN1; SMN2 Q16637 4/20 0.64
KDM4E B2RXH2 3/20 0.64
TDP1 Q9NUW8 4/20 0.61
GAA P10253 2/20 0.61
LMNA P02545 4/20 0.58
HPGD P15428 3/20 0.58
ALOX12 P18054 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
PKM P14618 1/20 0.58
KCNH3 Q9ULD8 3/20 0.56
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
TP53 P04637 2/20 0.51

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
SCHEMBL1391173 0.84 EGFR (0.79) EGFRMAPTALDH1A1KMT2AMEN1
SCHEMBL1390779 0.84 MAPT (1.00) EGFRMAPTALDH1A1KMT2AMEN1
SCHEMBL1391422 0.81 EGFR (0.72) EGFRMAPTALDH1A1KMT2AMEN1
SCHEMBL31744573 0.80 EGFR (0.64) EGFRMAPTALDH1A1KMT2AMEN1
SCHEMBL2880220 0.78 MAPT (0.70) EGFRMAPTALDH1A1KMT2AMEN1
SCHEMBL2786809 0.77 EGFR (0.71) EGFRMAPTALDH1A1KMT2AMEN1
SCHEMBL13087442 0.76 EGFR (0.60) EGFRMAPTALDH1A1KMT2AMEN1
SCHEMBL1391168 0.76 KMT2A (0.66) EGFRMAPTALDH1A1KMT2AMEN1
SCHEMBL14811109 0.76 ALDH1A1 (0.71) MAPTALDH1A1KMT2AMEN1MAPK1
SCHEMBL1390753 0.75 MAPT (0.71) EGFRMAPTALDH1A1KMT2AMEN1

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 EGFR 3871/4885MAPT 3654/4885ALDH1A1 2382/4885

“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.