SCHEMBL16622679

SCHEMBL16622679

COc1ccc2c(c1)N(C)C(=O)CN2c1nc(C)nc2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 13/20 1.00
TUBB P07437 13/20 1.00
TUBA3C P0DPH7 13/20 1.00
TUBA1B P68363 13/20 1.00
TUBA4A P68366 13/20 1.00
TUBB4B P68371 13/20 1.00
TUBB3 Q13509 13/20 1.00
TUBB2A Q13885 13/20 1.00
TUBB8 Q3ZCM7 13/20 1.00
TUBA3E Q6PEY2 13/20 1.00
TUBA1A Q71U36 13/20 1.00
TUBA1C Q9BQE3 13/20 1.00
TUBB6 Q9BUF5 13/20 1.00
TUBB2B Q9BVA1 13/20 1.00
TUBB1 Q9H4B7 13/20 1.00
EGFR P00533 4/20 0.61
PDGFRB P09619 4/20 0.61
KDR P35968 4/20 0.61
HTT P42858 1/20 0.44
GLA P06280 2/20 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
SCHEMBL30164312 0.82 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL31016225 0.82 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL16612167 0.82 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL22407291 0.81 TUBB4A (0.98) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL16612054 0.79 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL16622677 0.78 TUBB4A (0.89) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL16622703 0.76 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL16622701 0.74 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL22432681 0.71 TUBB4A (0.80) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL31053045 0.70 TUBB4A (0.66) 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.