SCHEMBL16612210

SCHEMBL16612210

COc1ccc2c(c1)CCCN2c1cccc2cccnc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 13/20 0.61
TUBB P07437 13/20 0.61
TUBA3C P0DPH7 13/20 0.61
TUBA1B P68363 13/20 0.61
TUBA4A P68366 13/20 0.61
TUBB4B P68371 13/20 0.61
TUBB3 Q13509 13/20 0.61
TUBB2A Q13885 13/20 0.61
TUBB8 Q3ZCM7 13/20 0.61
TUBA3E Q6PEY2 13/20 0.61
TUBA1A Q71U36 13/20 0.61
TUBA1C Q9BQE3 13/20 0.61
TUBB6 Q9BUF5 13/20 0.61
TUBB2B Q9BVA1 13/20 0.61
TUBB1 Q9H4B7 13/20 0.61
EGFR P00533 9/20 0.53
KDR P35968 9/20 0.53
PDGFRB P09619 8/20 0.53
PDGFRA P16234 1/20 0.47
HTR1A P08908 1/20 0.46

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
SCHEMBL16611931 0.81 TUBB4A (0.74) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL16612445 0.79 TUBB4A (0.72) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL16612144 0.76 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL16612258 0.75 TUBB4A (0.72) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL16612117 0.74 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL16612320 0.74 TUBB4A (0.71) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL16611787 0.74 TUBB4A (0.62) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL22432529 0.74 TUBB4A (0.73) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2143906 0.74 PDK1 (0.61) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Hydrochloric Acid SCHEMBL2143774 0.73 PDK1 (0.60) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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 claimed
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-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-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
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
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
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 TUBB4A 1798/4885TUBB 1401/4885TUBA3C 1692/4885

“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.