SCHEMBL1390913

SCHEMBL1390913

CCOc1nc(NCc2ccccn2)nc(NCc2ccco2)n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 4/20 0.66
▸ MAPT P10636 3/20 0.66
▸ NPSR1 Q6W5P4 2/20 0.65
▸ HTT P42858 2/20 0.65
▸ SMN1; SMN2 Q16637 2/20 0.64
▸ ALDH1A1 P00352 5/20 0.61
▸ KMT2A Q03164 3/20 0.61
▸ MEN1 O00255 1/20 0.61
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ KCNH3 Q9ULD8 3/20 0.49
▸ ADORA3 P0DMS8 1/20 0.46
▸ ADORA2A P29274 1/20 0.46
▸ ADORA2B P29275 1/20 0.46
▸ ADORA1 P30542 1/20 0.46
▸ GAA P10253 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ TDP1 Q9NUW8 2/20 0.42
▸ ALOX15 P16050 2/20 0.42
▸ EGFR P00533 1/20 0.42

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
SCHEMBL1391287 0.91 MAPT (0.66) MAPK1MAPTNPSR1HTTSMN1; SMN2
SCHEMBL1391333 0.82 MAPT (0.58) MAPK1MAPTNPSR1HTTSMN1; SMN2
SCHEMBL1391443 0.82 MAPK1 (0.59) MAPK1MAPTNPSR1HTTSMN1; SMN2
SCHEMBL10243636 0.82 MAPT (0.79) MAPK1MAPTNPSR1HTTSMN1; SMN2
SCHEMBL1390765 0.82 ALDH1A1 (0.54) MAPK1MAPTNPSR1HTTSMN1; SMN2
SCHEMBL1391251 0.81 ALDH1A1 (0.53) MAPK1MAPTNPSR1HTTSMN1; SMN2
SCHEMBL1391434 0.80 MAPT (0.68) MAPK1MAPTNPSR1HTTSMN1; SMN2
SCHEMBL1391547 0.79 MAPK1 (0.64) MAPK1MAPTNPSR1HTTSMN1; SMN2
SCHEMBL1391154 0.78 SMN1; SMN2 (0.77) MAPK1MAPTNPSR1HTTSMN1; SMN2
SCHEMBL1390712 0.78 MAPT (0.65) MAPK1MAPTNPSR1HTTSMN1; SMN2

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 MAPK1 2676/4885MAPT 3654/4885NPSR1 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.

Send feedback