SCHEMBL1391122

SCHEMBL1391122

CCOc1nc(NCc2ccco2)nc(Nc2cccc(CN3CCOCC3)c2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.57
▸ TSHR P16473 2/20 0.57
▸ NPSR1 Q6W5P4 3/20 0.57
▸ MAPK1 P28482 2/20 0.57
▸ MEN1 O00255 2/20 0.57
▸ KMT2A Q03164 2/20 0.57
▸ ALDH1A1 P00352 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ HTT P42858 1/20 0.50
▸ LMNA P02545 1/20 0.48
▸ CSF1R P07333 2/20 0.47
▸ TYK2 P29597 2/20 0.47
▸ TBK1 Q9UHD2 2/20 0.47
▸ ULK2 Q8IYT8 1/20 0.47
▸ JAK2 O60674 1/20 0.47
▸ JAK3 P52333 1/20 0.47
▸ KCNH3 Q9ULD8 1/20 0.47

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
SCHEMBL1391054 0.92 MAPT (0.58) MAPTTSHRNPSR1MAPK1MEN1
SCHEMBL1391026 0.92 MAPT (0.58) MAPTTSHRNPSR1MAPK1MEN1
SCHEMBL1391491 0.91 MAPT (0.57) MAPTTSHRNPSR1MAPK1MEN1
SCHEMBL1390732 0.86 MAPT (0.64) MAPTTSHRNPSR1MAPK1MEN1
SCHEMBL1391231 0.85 MAPT (0.57) MAPTTSHRNPSR1MAPK1MEN1
SCHEMBL1391277 0.84 MAPT (0.53) MAPTTSHRNPSR1MAPK1MEN1
SCHEMBL1391220 0.83 MAPT (0.54) MAPTTSHRNPSR1MAPK1MEN1
SCHEMBL1390750 0.83 MAPT (0.54) MAPTTSHRNPSR1MAPK1MEN1
SCHEMBL1391242 0.82 MAPT (0.56) MAPTTSHRNPSR1MAPK1MEN1
SCHEMBL1391201 0.82 MAPT (0.56) MAPTTSHRNPSR1MAPK1MEN1

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 MAPT 3654/4885TSHR 3492/4885NPSR1 3221/4885

“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.

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