SCHEMBL4418355

SCHEMBL4418355

COc1cc(C(=O)c2c[nH]c(-c3ccncc3)n2)cc(OC)c1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 11/20 0.57
TUBB P07437 11/20 0.57
TUBA3C P0DPH7 11/20 0.57
TUBA1B P68363 11/20 0.57
TUBA4A P68366 11/20 0.57
TUBB4B P68371 11/20 0.57
TUBB3 Q13509 11/20 0.57
TUBB2A Q13885 11/20 0.57
TUBB8 Q3ZCM7 11/20 0.57
TUBA3E Q6PEY2 11/20 0.57
TUBA1A Q71U36 11/20 0.57
TUBA1C Q9BQE3 11/20 0.57
TUBB6 Q9BUF5 11/20 0.57
TUBB2B Q9BVA1 11/20 0.57
TUBB1 Q9H4B7 11/20 0.57
EGFR P00533 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.45
ABCB1 P08183 1/20 0.45
ABCC1 P33527 1/20 0.45
HDAC3 O15379 1/20 0.44

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
SCHEMBL725347 0.89 TUBB4A (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL723242 0.89 EGFR (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL723931 0.88 TUBB1 (0.57) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL725053 0.88 PDGFRB (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL724651 0.88 TUBB4A (0.49) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4422699 0.87 TUBB4A (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3469479 0.87 EGFR (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL723964 0.87 TUBB4A (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL724356 0.87 PDGFRB (0.49) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL724236 0.87 TUBB4A (0.56) 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-10865196-B2 Compounds for treatment of cancer UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2020-12-15 US disclosed
US-10301285-B2 Compounds for treatment of cancer GTX, INC. (US) 2019-05-28 US disclosed
US-20190092755-A1 COMPOUNDS FOR TREATMENT OF CANCER ONCTERNAL THERAPEUTICS, INC 2019-03-28 US disclosed
US-20180093971-A1 COMPOUNDS FOR TREATMENT OF CANCER ONCTERNAL THERAPEUTICS, INC 2018-04-05 US disclosed
EP-3289876-A1 COMPOUNDS FOR TREATMENT OF CANCER University of Tennessee Research Foundation (US) 2018-03-07 EP disclosed
EP-2959900-A1 COMPOUND FOR TREATMENT OF CANCER University of Tennessee Research Foundation (US) 2015-12-30 EP disclosed
CN-104610230-A Compounds for the treatment of cancer UNIV TENNESSEE RES FOUNDATION 2015-05-13 CN disclosed
US-9029408-B2 Compounds for treatment of cancer GTX, INC. (US) 2015-05-12 US disclosed
CN-102137592-B Compounds for the treatment of cancer UNIV TENNESSEE RES FOUNDATION (US) 2015-01-28 CN disclosed
US-20140213623-A1 COMPOUNDS FOR TREATMENT OF CANCER GTX, INC. (US) 2014-07-31 US disclosed
US-8592465-B2 Compounds for treatment of cancer UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2013-11-26 US disclosed
US-20090326020-A1 COMPOUNDS FOR TREATMENT OF CANCER UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2009-12-31 US 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 (6 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-20090326020-A1 COMPOUNDS FOR TREATMENT OF CANCER HCCS, NQO1, CCNY TUBB4A 2060/4885TUBB 2030/4885TUBA3C 2859/4885
US-10865196-B2 Compounds for treatment of cancer CYP19A1, CYP17A1, SOX18 TUBB4A 237/4885TUBB 461/4885TUBA3C 625/4885
US-10301285-B2 Compounds for treatment of cancer CYP19A1, CYP17A1, SOX18 TUBB4A 237/4885TUBB 461/4885TUBA3C 625/4885
US-20140213623-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 TUBB4A 237/4885TUBB 461/4885TUBA3C 625/4885
US-20180093971-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 TUBB4A 237/4885TUBB 461/4885TUBA3C 625/4885
US-20190092755-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 TUBB4A 237/4885TUBB 461/4885TUBA3C 625/4885

“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.