SCHEMBL1391632

SCHEMBL1391632

CCOc1nc(Nc2ccc(OC)cc2)nc(NC2CCN(C)CC2)n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 1/20 0.64
▸ PDE4D Q08499 1/20 0.64
▸ MEN1 O00255 4/20 0.57
▸ KMT2A Q03164 4/20 0.57
▸ MAPT P10636 7/20 0.53
▸ NPSR1 Q6W5P4 3/20 0.53
▸ CTSL P07711 2/20 0.52
▸ CTSS P25774 2/20 0.52
▸ CTSK P43235 2/20 0.52
▸ MAPK1 P28482 2/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ CTSB P07858 1/20 0.50
▸ HPGD P15428 1/20 0.48
▸ RECQL P46063 1/20 0.47
▸ IDH2 P48735 1/20 0.47
▸ POLB P06746 1/20 0.46
▸ HTT P42858 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45

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
SCHEMBL1391837 0.78 MEN1 (0.46) MEN1KMT2AMAPTNPSR1ALDH1A1
SCHEMBL1391540 0.78 IDH2 (0.81) MAPTMAPK1IDH2SMN1; SMN2
Hydrochloric Acid SCHEMBL1391637 0.77 IDH2 (0.79) MAPTMAPK1IDH2SMN1; SMN2
Hydrochloric Acid SCHEMBL3103521 0.77 IDH2 (0.79) MAPTMAPK1IDH2SMN1; SMN2
SCHEMBL1391736 0.76 MAPT (0.70) PDE4BPDE4DMEN1KMT2AMAPT
SCHEMBL21940528 0.76 RAB9A (0.67) PDE4BPDE4DMEN1KMT2AMAPT
SCHEMBL19053521 0.76 NPSR1 (0.60) PDE4BPDE4DMEN1KMT2AMAPT
SCHEMBL19053262 0.75 NPSR1 (0.59) PDE4BPDE4DMEN1KMT2AMAPT
SCHEMBL19053277 0.75 POLB (0.67) PDE4BPDE4DMEN1KMT2AMAPT
SCHEMBL14274165 0.75 CTSL (0.59) MEN1KMT2AMAPTNPSR1CTSL

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 4 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
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 PDE4B 3902/4885PDE4D 4666/4885MEN1 4840/4885

“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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