SCHEMBL16612291

SCHEMBL16612291

COc1ccc(Nc2nc(C)nc3ccccc23)c(N)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.56
▸ LMNA P02545 6/20 0.56
▸ KMT2A Q03164 5/20 0.56
▸ MEN1 O00255 4/20 0.56
▸ KDM4E B2RXH2 3/20 0.56
▸ L3MBTL1 Q9Y468 3/20 0.56
▸ TDP1 Q9NUW8 2/20 0.56
▸ TP53 P04637 2/20 0.55
▸ POLB P06746 3/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ TSHR P16473 2/20 0.51
▸ HTT P42858 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ MAPK1 P28482 2/20 0.50
▸ GAA P10253 2/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.49
▸ EGFR P00533 1/20 0.49

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
SCHEMBL3119149 0.85 MAPT (0.56) MAPTLMNAKMT2AMEN1KDM4E
SCHEMBL16612341 0.80 MAPT (0.56) MAPTLMNAKMT2AMEN1KDM4E
SCHEMBL3108501 0.79 NPY5R (0.72) MAPTLMNAKMT2AMEN1KDM4E
SCHEMBL16611908 0.77 SHMT2 (0.53) MAPTLMNAKMT2AMEN1KDM4E
SCHEMBL3113501 0.75 MAPT (0.53) MAPTLMNAKMT2AMEN1KDM4E
SCHEMBL3119143 0.74 PDE5A (0.51) MAPTLMNAKMT2AMEN1KDM4E
SCHEMBL3114695 0.74 NPY5R (0.51) MAPTLMNAKMT2AMEN1L3MBTL1
SCHEMBL27685870 0.73 MAPT (0.51) MAPTLMNAKMT2AMEN1KDM4E
SCHEMBL7719696 0.73 GAA (0.68) MAPTLMNAKMT2AMEN1KDM4E
SCHEMBL3113616 0.72 MAPT (0.72) MAPTLMNAKMT2AMEN1KDM4E

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
EP-2857393-B1 N-ARYL UNSATURATED FUSED RING TERTIARY AMINE COMPOUND, PREPARATION METHOD THEREOF AND ANTITUMOR APPLICATION THEREOF INST PHARMACOLOGY & TOXICOLOGY ACADEMY MILITARY MEDICAL SCIENCES PLA CHINA (CN) 2018-09-12 — — EP disclosed
US-9751884-B2 N-aryl unsaturated fused ring tertiary amine compounds, preparation method and anti-tumor applications thereof INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2017-09-05 — — US disclosed
US-20150141407-A1 N-Aryl Unsaturated Fused Ring Tertiary Amine Compounds, Preparation Method and Anti-Tumor Applications Thereof INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2015-05-21 — — US disclosed
EP-2857393-A1 N-ARYL UNSATURATED FUSED RING TERTIARY AMINE COMPOUND, PREPARATION METHOD THEREOF AND ANTITUMOR APPLICATION THEREOF Institute Of Pharmacology And Toxicology Academy Of Militaty Medical Sciences P.L.A. (CN) 2015-04-08 — — EP 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-20150141407-A1 N-Aryl Unsaturated Fused Ring Tertiary Amine Compounds, Preparation Method and Anti-Tumor Applications Thereof H1-0, H1-5, H1-3 MAPT 3427/4885LMNA 214/4885KMT2A 1467/4885

“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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