SCHEMBL6124153

SCHEMBL6124153

O=C1NC(c2ccc(-c3ccccc3)cc2)Cc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
PARP1 P09874 3/20 0.45
PARP2 Q9UGN5 1/20 0.45
PARP10 Q53GL7 2/20 0.44
PARP11 Q9NR21 2/20 0.44
PKN1 Q16512 1/20 0.44
PKN2 Q16513 1/20 0.44
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
TYRO3 Q06418 1/20 0.43
NTRK2 Q16620 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
DYRK1A Q13627 1/20 0.42
TDP2 O95551 2/20 0.42
PDPK1 O15530 1/20 0.41
CASP3 P42574 1/20 0.41
CASP7 P55210 1/20 0.41
CASP9 P55211 1/20 0.41
CASP6 P55212 1/20 0.41

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
SCHEMBL30821409 0.81 PARP1 (0.57) TSHRPARP1PARP2PARP10PARP11
SCHEMBL24616641 0.76 EPHX2 (0.49) TSHRCA12CA9DYRK1ATDP2
SCHEMBL3890285 0.76 TSHR (0.50) TSHRPARP1PARP10PARP11PKN1
SCHEMBL6124108 0.76 PARP1 (0.62) PARP1PARP2PKN1PKN2TYRO3
SCHEMBL29923296 0.75 TSHR (0.49) TSHRPARP1PARP10PARP11PKN1
SCHEMBL13557898 0.74 PARP1 (0.42) TSHRPARP1PARP2PARP10PKN1
SCHEMBL4071971 0.73 PKN1 (0.54) TSHRPKN1PKN2DYRK1APRCP
SCHEMBL29458467 0.72 TSHR (0.57) TSHRPARP1CA12CA9DYRK1A
SCHEMBL30834841 0.72 DYRK1A (0.57) TSHRDYRK1AALDH1A1MAPT
SCHEMBL25732123 0.71 CYP19A1 (0.67) TSHRBRD4ACHEALDH1A1MAPT

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 17 patents. 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-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-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-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 (4 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 TSHR 3074/4885PARP1 888/4885PARP2 583/4885
US-20070134161-A1 METHODS OF DETERMINING BETA-III TUBULIN EXPRESSION TUBB3, TUBB1, TUBB TSHR 2722/4885PARP1 2041/4885PARP2 1331/4885
US-20120202800-A1 DUAL SMALL MOLECULE INHIBITORS OF CANCER AND ANGIOGENESIS TP53, MAP2, MAP1LC3B TSHR 3074/4885PARP1 888/4885PARP2 583/4885
US-20070244098-A1 Dual Small Molecule Inhibitors of Cancer and Angiogenesis TP53, MAP2, MAP1LC3B TSHR 3074/4885PARP1 888/4885PARP2 583/4885

“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.