SCHEMBL1391297

SCHEMBL1391297

Nc1cccc(Nc2nc(NCc3ccc(F)cc3)nc(OCC(F)(F)F)n2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 10/20 0.52
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.51
LMNA P02545 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
MAPT P10636 2/20 0.50
HTT P42858 2/20 0.50
POLB P06746 1/20 0.50
GAA P10253 1/20 0.50
XBP1 P17861 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CFTR P13569 2/20 0.49
FCGR3B O75015 1/20 0.44
FCGR1A P12314 1/20 0.44
FCGR2A P12318 1/20 0.44
SYK P43405 1/20 0.42
APP P05067 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ATM Q13315 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
SCHEMBL1391588 0.90 KCNH3 (0.55) KCNH3KMT2AMEN1LMNAL3MBTL1
SCHEMBL1392183 0.88 APP (0.56) KCNH3KMT2AMEN1LMNAL3MBTL1
SCHEMBL1391538 0.88 CNR2 (0.53) KCNH3KMT2AMEN1LMNAL3MBTL1
SCHEMBL1391524 0.87 KCNH3 (0.70) KCNH3KMT2AMEN1LMNAL3MBTL1
SCHEMBL1395426 0.86 APP (0.53) KCNH3KMT2AMEN1LMNAL3MBTL1
SCHEMBL1391177 0.85 MEN1 (0.51) KCNH3KMT2AMEN1LMNAL3MBTL1
SCHEMBL1391108 0.85 MEN1 (0.51) KCNH3KMT2AMEN1LMNAL3MBTL1
SCHEMBL1391562 0.85 MEN1 (0.51) KCNH3KMT2AMEN1LMNAL3MBTL1
SCHEMBL1391219 0.84 JAK2 (0.49) KCNH3KMT2AMEN1LMNAL3MBTL1
SCHEMBL1391116 0.84 KCNH3 (0.55) KCNH3KMT2AMEN1LMNAL3MBTL1

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 KCNH3 3535/4885KMT2A 4066/4885MEN1 4840/4885

“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.