SCHEMBL1392012

SCHEMBL1392012

CCOc1nc(NCc2ccc(N3CCOCC3)cc2)nc(Nc2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
STAT6 P42226 1/20 0.51
IDH2 P48735 5/20 0.48
MTOR P42345 1/20 0.48
SMG1 Q96Q15 1/20 0.48
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
BRD4 O60885 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
KCNH2 Q12809 1/20 0.46
NTRK1 P04629 1/20 0.46
CTSC P53634 1/20 0.45
SLC2A1 P11166 1/20 0.45
LCK P06239 1/20 0.44

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
SCHEMBL1391479 0.92 USP2 (0.52) USP2SMN1; SMN2STAT6IDH2MTOR
SCHEMBL1392388 0.91 CTSC (0.56) USP2SMN1; SMN2IDH2MAPTLMNA
SCHEMBL1391495 0.88 SMG1 (0.58) USP2SMN1; SMN2STAT6IDH2MTOR
SCHEMBL10244120 0.85 STAT6 (0.55) USP2SMN1; SMN2STAT6IDH2MTOR
SCHEMBL1391666 0.85 SMN1; SMN2 (0.70) USP2SMN1; SMN2IDH2MTORSMG1
SCHEMBL1392399 0.85 IDH2 (0.56) IDH2MAPTLMNAMAPK1MEN1
SCHEMBL1391646 0.84 IDH2 (0.56) SMN1; SMN2IDH2MAPTLMNAMAPK1
SCHEMBL1392273 0.84 SLC2A1 (0.62) IDH2MAPTLMNAMAPK1MEN1
SCHEMBL1391708 0.84 IDH2 (0.58) IDH2MAPTLMNAMAPK1MEN1
SCHEMBL1391591 0.84 CYP3A4 (0.67) USP2SMN1; SMN2IDH2MAPTLMNA

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 USP2 2047/4885SMN1; SMN2 4526/4885STAT6 515/4885

“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.