SCHEMBL1391222

SCHEMBL1391222

O=c1[nH]c2ccc(Nc3nc(NCc4ccc(F)cc4)nc(OCC(F)(F)F)n3)cc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 5/20 0.49
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
MAPT P10636 6/20 0.45
GAA P10253 5/20 0.45
LMNA P02545 3/20 0.45
TP53 P04637 1/20 0.45
THRB P10828 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
TDP1 Q9NUW8 1/20 0.43
CFTR P13569 1/20 0.43
KDM4E B2RXH2 3/20 0.42
HTT P42858 1/20 0.42
ATM Q13315 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 2/20 0.41
G6PD P11413 1/20 0.41
HPGD P15428 1/20 0.41
BLM P54132 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL1392464 0.92 KMT2A (0.43) KCNH3MEN1KMT2AMAPTGAA
SCHEMBL1392084 0.91 GAA (0.46) KCNH3MEN1KMT2AMAPTGAA
SCHEMBL1392158 0.91 KMT2A (0.52) KCNH3MEN1KMT2AMAPTGAA
SCHEMBL1391497 0.84 KCNH3 (0.49) KCNH3MEN1KMT2ALMNAL3MBTL1
SCHEMBL1391218 0.84 KCNH3 (0.46) KCNH3MEN1KMT2ALMNAL3MBTL1
SCHEMBL1392329 0.84 PTK2 (0.47) MEN1KMT2AMAPTGAALMNA
SCHEMBL1391326 0.83 CDC7 (0.56) KCNH3MEN1KMT2AMAPTLMNA
SCHEMBL1391116 0.83 KCNH3 (0.55) KCNH3MEN1KMT2AMAPTLMNA
SCHEMBL1392125 0.82 MEN1 (0.42) MEN1KMT2AMAPTGAALMNA
SCHEMBL1391588 0.81 KCNH3 (0.55) KCNH3MEN1KMT2AMAPTLMNA

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

“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.