SCHEMBL1391426

SCHEMBL1391426

CCOc1nc(NCc2ccco2)nc(NC2CCN(C(C)C)CC2)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.59
▸ MAPT P10636 4/20 0.58
▸ NPSR1 Q6W5P4 4/20 0.58
▸ HTT P42858 1/20 0.58
▸ MAPK1 P28482 5/20 0.56
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ TSHR P16473 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ WHR1 P49842 1/20 0.42
▸ ATM Q13315 1/20 0.40
▸ KCNH3 Q9ULD8 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ CCNE2 O96020 1/20 0.38
▸ CCNA2 P20248 1/20 0.38
▸ CCNE1 P24864 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ CCNA1 P78396 1/20 0.38

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
SCHEMBL1391731 0.89 ALDH1A1 (0.62) ALDH1A1MAPTNPSR1HTTMAPK1
SCHEMBL1391503 0.85 ALDH1A1 (0.57) ALDH1A1MAPTNPSR1HTTMAPK1
SCHEMBL1391197 0.83 ALDH1A1 (0.56) ALDH1A1MAPTNPSR1HTTMAPK1
SCHEMBL1390765 0.82 ALDH1A1 (0.54) ALDH1A1MAPTNPSR1HTTMAPK1
SCHEMBL1391429 0.77 MAPT (0.59) ALDH1A1MAPTNPSR1HTTMAPK1
SCHEMBL1391169 0.75 MAPK1 (0.56) ALDH1A1MAPTNPSR1HTTMAPK1
SCHEMBL1390902 0.74 MAPT (0.56) ALDH1A1MAPTNPSR1HTTMAPK1
SCHEMBL1392005 0.74 MAPK1 (0.56) ALDH1A1MAPTNPSR1HTTMAPK1
SCHEMBL3118383 0.74 MAPK1 (0.52) ALDH1A1MAPTNPSR1HTTMAPK1
SCHEMBL1391434 0.73 MAPT (0.68) ALDH1A1MAPTNPSR1HTTMAPK1

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 ALDH1A1 2382/4885MAPT 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.

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