SCHEMBL16611908

SCHEMBL16611908

COc1ccc(Nc2nc(C)nc3ccccc23)c(NC(=O)CCl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SHMT2 P34897 1/20 0.53
▸ NPC1 O15118 1/20 0.48
▸ RAD52 P43351 4/20 0.48
▸ MAPT P10636 9/20 0.47
▸ KMT2A Q03164 6/20 0.47
▸ LMNA P02545 6/20 0.47
▸ MEN1 O00255 4/20 0.47
▸ L3MBTL1 Q9Y468 3/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ POLB P06746 3/20 0.47
▸ TP53 P04637 3/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.46
▸ CASP2 P42575 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ GAA P10253 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL10895905 0.79 AKR1C3 (0.59) NPC1MAPTKMT2ALMNAMEN1
SCHEMBL3119149 0.77 MAPT (0.56) SHMT2MAPTKMT2ALMNAMEN1
SCHEMBL16612291 0.77 MAPT (0.56) SHMT2NPC1MAPTKMT2ALMNA
SCHEMBL16612341 0.74 MAPT (0.56) NPC1MAPTKMT2ALMNAMEN1
SCHEMBL25415873 0.72 VCP (0.41) NPC1MAPTKMT2ALMNAMEN1
SCHEMBL3108501 0.71 NPY5R (0.72) NPC1RAD52MAPTKMT2ALMNA
SCHEMBL17536233 0.71 ALDH1A1 (0.67) NPC1MAPTKMT2AMEN1L3MBTL1
SCHEMBL6939799 0.71 P2RX7 (0.59) NPC1MAPTKMT2ALMNAMEN1
SCHEMBL4872495 0.70 HTT (0.73) NPC1MAPTKMT2ALMNAMEN1
SCHEMBL3114695 0.69 NPY5R (0.51) NPC1RAD52MAPTKMT2ALMNA

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 SHMT2 2414/4885NPC1 182/4885RAD52 3709/4885

“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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