SCHEMBL6124189

SCHEMBL6124189

O=c1[nH]c(-c2ccc(-c3ccccc3)cc2)nc2ccccc12

nearest known ligand 0.93

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 13/20 0.93
TNKS2 Q9H2K2 12/20 0.93
PARP1 P09874 6/20 0.93
GUSB P08236 7/20 0.79
PARP2 Q9UGN5 3/20 0.79
CYP1A1 P04798 1/20 0.79
CYP1B1 Q16678 1/20 0.79
MAPT P10636 2/20 0.76
HPGD P15428 2/20 0.76
ALDH1A1 P00352 1/20 0.76
ALOX15 P16050 1/20 0.76
HSD17B10 Q99714 1/20 0.76
APOBEC3G Q9HC16 1/20 0.76
NPC1 O15118 3/20 0.72
RAB9A P51151 3/20 0.72
WNT3A P56704 1/20 0.72
CASP3 P42574 1/20 0.72
SENP7 Q9BQF6 1/20 0.72
SENP6 Q9GZR1 1/20 0.72
KDM4E B2RXH2 1/20 0.72

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
SCHEMBL29592833 0.96 TNKS (1.00) TNKSTNKS2PARP1GUSBPARP2
SCHEMBL258433 0.96 TNKS (1.00) TNKSTNKS2PARP1GUSBPARP2
SCHEMBL6885282 0.96 TNKS (0.93) TNKSTNKS2PARP1GUSBPARP2
Hydrochloric Acid SCHEMBL31529601 0.95 TNKS (0.96) TNKSTNKS2PARP1GUSBPARP2
SCHEMBL15775876 0.88 TNKS (0.78) TNKSTNKS2PARP1GUSBPARP2
SCHEMBL8618982 0.88 TNKS (1.00) TNKSTNKS2PARP1GUSBPARP2
SCHEMBL2006170 0.88 TNKS (1.00) TNKSTNKS2PARP1GUSBPARP2
SCHEMBL16768506 0.88 TNKS (0.78) TNKSTNKS2PARP1GUSBPARP2
SCHEMBL29764113 0.88 TNKS (1.00) TNKSTNKS2PARP1GUSBPARP2
SCHEMBL15775207 0.88 TNKS (1.00) TNKSTNKS2PARP1GUSBPARP2

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1750706-B1 DUAL SMALL MOLECULE INHIBITORS OF CANCER AND ANGIOGENESIS Univ Virginia Patent Found (US) 2016-10-05 EP disclosed
US-9133136-B2 Dual small molecule inhibitors of cancer and angiogenesis UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2015-09-15 US disclosed
US-9133136-B2 Dual small molecule inhibitors of cancer and angiogenesis UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2015-09-15 US disclosed
US-20140329805-A1 DUAL SMALL MOLECULE INHIBITORS OF CANCER AND ANGIOGENESIS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2014-11-06 US disclosed
US-20140329805-A1 DUAL SMALL MOLECULE INHIBITORS OF CANCER AND ANGIOGENESIS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2014-11-06 US disclosed
US-8642610-B2 Dual small molecule inhibitors of cancer and angiogenesis UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2014-02-04 US disclosed
US-8642610-B2 Dual small molecule inhibitors of cancer and angiogenesis UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2014-02-04 US disclosed
US-8298512-B2 Methods of determining β-III tubulin expression UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-10-30 US disclosed
US-8298512-B2 Methods of determining β-III tubulin expression UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-10-30 US disclosed
US-20120202800-A1 DUAL SMALL MOLECULE INHIBITORS OF CANCER AND ANGIOGENESIS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-08-09 US disclosed
US-8178545-B2 Dual small molecule inhibitors of cancer and angiogenesis UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-05-15 US disclosed
US-8178545-B2 Dual small molecule inhibitors of cancer and angiogenesis UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-05-15 US disclosed
US-7410975-B2 Small molecule toll-like receptor (TLR) antagonists COLEY PHARMACEUTICAL GROUP, INC. (US) 2008-08-12 US disclosed
US-7410975-B2 Small molecule toll-like receptor (TLR) antagonists COLEY PHARMACEUTICAL GROUP, INC. (US) 2008-08-12 US disclosed
US-20070244098-A1 Dual Small Molecule Inhibitors of Cancer and Angiogenesis UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2007-10-18 US disclosed
US-20070244098-A1 Dual Small Molecule Inhibitors of Cancer and Angiogenesis UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2007-10-18 US disclosed
US-20070232622-A1 Small molecule toll-like receptor (TLR) antagonists COLEY PHARMACEUTICAL GMBH (DE) 2007-10-04 US disclosed
US-20070232622-A1 Small molecule toll-like receptor (TLR) antagonists COLEY PHARMACEUTICAL GMBH (DE) 2007-10-04 US disclosed
US-20070134161-A1 METHODS OF DETERMINING BETA-III TUBULIN EXPRESSION UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2007-06-14 US disclosed
US-20070134161-A1 METHODS OF DETERMINING BETA-III TUBULIN EXPRESSION UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2007-06-14 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 (5 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-20140329805-A1 DUAL SMALL MOLECULE INHIBITORS OF CANCER AND ANGIOGENESIS TP53, MAP2, MAP1LC3B TNKS 981/4885TNKS2 476/4885PARP1 888/4885
US-20070134161-A1 METHODS OF DETERMINING BETA-III TUBULIN EXPRESSION TUBB3, TUBB1, TUBB TNKS 2351/4885TNKS2 1338/4885PARP1 2041/4885
US-20070232622-A1 Small molecule toll-like receptor (TLR) antagonists TLR3, TLR8, TLR7 TNKS 708/4885TNKS2 1092/4885PARP1 336/4885
US-20120202800-A1 DUAL SMALL MOLECULE INHIBITORS OF CANCER AND ANGIOGENESIS TP53, MAP2, MAP1LC3B TNKS 981/4885TNKS2 476/4885PARP1 888/4885
US-20070244098-A1 Dual Small Molecule Inhibitors of Cancer and Angiogenesis TP53, MAP2, MAP1LC3B TNKS 981/4885TNKS2 476/4885PARP1 888/4885

“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.