SCHEMBL1392169

SCHEMBL1392169

CCOc1nc(Nc2cccc(C(F)(F)F)c2)nc(N2CCN(c3nc(C)cc(C)n3)CC2)n1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.60
IDH2 P48735 6/20 0.59
USP2 O75604 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
APP P05067 4/20 0.55
LMNA P02545 1/20 0.52
MAPK1 P28482 1/20 0.52
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
KMT2A Q03164 1/20 0.51
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL1392467 0.91 USP2 (0.68) MAPTIDH2USP2SMN1; SMN2APP
SCHEMBL1392745 0.91 MAPT (0.73) MAPTIDH2USP2SMN1; SMN2APP
SCHEMBL1391823 0.90 IDH2 (0.74) MAPTIDH2USP2SMN1; SMN2APP
SCHEMBL1391661 0.90 IDH2 (0.74) MAPTIDH2USP2SMN1; SMN2APP
SCHEMBL1391514 0.90 MAPT (0.57) MAPTIDH2USP2SMN1; SMN2APP
SCHEMBL1391666 0.88 SMN1; SMN2 (0.70) MAPTIDH2USP2SMN1; SMN2LMNA
SCHEMBL1391447 0.87 MAPT (0.56) MAPTIDH2USP2SMN1; SMN2APP
SCHEMBL1391698 0.87 MAPT (0.56) MAPTIDH2USP2SMN1; SMN2APP
SCHEMBL1391712 0.87 MAPT (0.56) MAPTIDH2USP2SMN1; SMN2APP
SCHEMBL1391595 0.87 MAPT (0.56) MAPTIDH2USP2SMN1; SMN2APP

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 MAPT 3654/4885IDH2 1936/4885USP2 2047/4885

“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.