SCHEMBL1391644

SCHEMBL1391644

CCOc1nc(NCc2ccco2)nc(Nc2ccc3c(c2)nc(C)n3C2CCCCC2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.56
▸ ALDH1A1 P00352 6/20 0.56
▸ MAPK1 P28482 4/20 0.56
▸ NPSR1 Q6W5P4 2/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ HTT P42858 1/20 0.47
▸ TSHR P16473 2/20 0.42
▸ KCNH3 Q9ULD8 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ GFER P55789 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ EGFR P00533 1/20 0.41
▸ HPGD P15428 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41

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
SCHEMBL1391067 0.82 MAPT (0.47) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL1391334 0.79 MAPT (0.57) MAPTALDH1A1MAPK1NPSR1MEN1
SCHEMBL1391298 0.79 SHMT2 (0.67) MAPTALDH1A1MAPK1NPSR1MEN1
SCHEMBL1391398 0.78 MAPT (0.69) MAPTALDH1A1MAPK1NPSR1MEN1
SCHEMBL1391311 0.76 MAPT (0.63) MAPTALDH1A1MAPK1NPSR1MEN1
SCHEMBL10282719 0.76 MAPT (0.63) MAPTALDH1A1MAPK1NPSR1MEN1
SCHEMBL1392162 0.76 MAPT (0.63) MAPTALDH1A1MAPK1NPSR1MEN1
SCHEMBL1391195 0.76 MAPT (0.69) MAPTALDH1A1MAPK1NPSR1MEN1
SCHEMBL1391220 0.75 MAPT (0.54) MAPTALDH1A1MAPK1NPSR1MEN1
SCHEMBL1391604 0.75 MAPT (0.67) MAPTALDH1A1MAPK1NPSR1MEN1

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 3654/4885ALDH1A1 2382/4885MAPK1 2676/4885

“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