SCHEMBL10245629

SCHEMBL10245629

CCOc1nc(Nc2cccc(C(F)(F)F)c2)nc(-c2ccccc2)n1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.58
MAPT P10636 1/20 0.58
MAPK1 P28482 1/20 0.58
IDH2 P48735 5/20 0.57
ABCG2 Q9UNQ0 3/20 0.53
AURKA O14965 2/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 1/20 0.47
CTSC P53634 1/20 0.47
FLT1 P17948 1/20 0.46
FLT4 P35916 1/20 0.46
KDR P35968 1/20 0.46
APP P05067 2/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL1392185 0.94 LMNA (0.59) LMNAMAPTMAPK1IDH2ABCG2
SCHEMBL1392541 0.92 LMNA (0.52) LMNAMAPTMAPK1IDH2ABCG2
SCHEMBL1392411 0.91 MAPT (0.56) LMNAMAPTMAPK1IDH2ABCG2
SCHEMBL1393019 0.91 LMNA (0.56) LMNAMAPTMAPK1IDH2ABCG2
SCHEMBL1392892 0.91 MAPT (0.56) LMNAMAPTMAPK1IDH2ABCG2
SCHEMBL1391833 0.90 LMNA (0.55) LMNAMAPTMAPK1IDH2ABCG2
SCHEMBL1392089 0.90 MAPT (0.55) LMNAMAPTMAPK1IDH2APP
SCHEMBL1391914 0.90 LMNA (0.55) LMNAMAPTMAPK1IDH2ABCG2
SCHEMBL1392425 0.90 LMNA (0.55) LMNAMAPTMAPK1IDH2ABCG2
SCHEMBL1392525 0.90 LMNA (0.55) LMNAMAPTMAPK1IDH2AURKA

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 1 patent. 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

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 LMNA 3218/4885MAPT 3654/4885MAPK1 2676/4885

“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.