SCHEMBL16622700

SCHEMBL16622700

COc1ccc2c(c1)CCCN2c1cc(Cl)nc(N)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 10/20 0.54
TUBB P07437 10/20 0.54
TUBA3C P0DPH7 10/20 0.54
TUBA1B P68363 10/20 0.54
TUBA4A P68366 10/20 0.54
TUBB4B P68371 10/20 0.54
TUBB3 Q13509 10/20 0.54
TUBB2A Q13885 10/20 0.54
TUBB8 Q3ZCM7 10/20 0.54
TUBA3E Q6PEY2 10/20 0.54
TUBA1A Q71U36 10/20 0.54
TUBA1C Q9BQE3 10/20 0.54
TUBB6 Q9BUF5 10/20 0.54
TUBB2B Q9BVA1 10/20 0.54
TUBB1 Q9H4B7 10/20 0.54
EGFR P00533 5/20 0.54
KDR P35968 5/20 0.54
PDGFRB P09619 4/20 0.54
NUDT1 P36639 1/20 0.50
PDGFRA P16234 1/20 0.48

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
SCHEMBL5749469 0.87 TUBB4A (0.60) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5748509 0.83 KDM4E (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5748517 0.80 NUDT1 (0.67) NUDT1KMT2AMEN1RXRARXRB
Hydrochloric Acid SCHEMBL5748686 0.79 NUDT1 (0.65) NUDT1KMT2AMEN1RXRARXRB
SCHEMBL2375113 0.79 TUBB4A (0.59) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL19319608 0.74 TUBB4A (0.65) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL16611993 0.71 EGFR (0.58) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL16611995 0.71 EGFR (0.60) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7076191 0.71 NUDT1 (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL16611823 0.70 TUBB4A (0.70) 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 5 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 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
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.