SCHEMBL1390765

SCHEMBL1390765

CCOc1nc(NCc2ccco2)nc(NC2CCN(Cc3ccccn3)CC2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.54
▸ MAPT P10636 3/20 0.52
▸ NPSR1 Q6W5P4 2/20 0.52
▸ HTT P42858 1/20 0.52
▸ MAPK1 P28482 4/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ GAA P10253 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ ACHE P22303 4/20 0.41
▸ BACE1 P56817 3/20 0.40
▸ DRD4 P21917 1/20 0.39
▸ CXCR3 P49682 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ CYP2C19 P33261 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 0.84 ALDH1A1 (0.62) ALDH1A1MAPTNPSR1HTTMAPK1
SCHEMBL1391251 0.84 ALDH1A1 (0.53) ALDH1A1MAPTNPSR1HTTMAPK1
SCHEMBL1390913 0.82 MAPK1 (0.66) ALDH1A1MAPTNPSR1HTTMAPK1
SCHEMBL1391426 0.82 ALDH1A1 (0.59) ALDH1A1MAPTNPSR1HTTMAPK1
SCHEMBL1391503 0.80 ALDH1A1 (0.57) ALDH1A1MAPTNPSR1HTTMAPK1
SCHEMBL1391197 0.79 ALDH1A1 (0.56) ALDH1A1MAPTNPSR1HTTMAPK1
SCHEMBL1391287 0.78 MAPT (0.66) ALDH1A1MAPTNPSR1HTTMAPK1
SCHEMBL1392435 0.75 IDH2 (0.58) MAPTMAPK1
Hydrochloric Acid SCHEMBL3116966 0.74 IDH2 (0.58) MAPTMAPK1
Hydrochloric Acid SCHEMBL1392336 0.74 IDH2 (0.58) MAPTMAPK1

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 3 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

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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