SCHEMBL3603313

SCHEMBL3603313

O=c1[nH]cc(Br)c2sc3ccccc3c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 3/20 0.51
TNKS2 Q9H2K2 3/20 0.51
GSK3B P49841 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 2/20 0.41
HCRTR1 O43613 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAP3K9 P80192 3/20 0.40
MAP3K11 Q16584 3/20 0.40
PTPN1 P18031 1/20 0.40
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40
MAPT P10636 3/20 0.38
DDAH1 O94760 1/20 0.38
LMNA P02545 1/20 0.38
CASP3 P42574 1/20 0.38

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
SCHEMBL11888475 0.83 TNKS (0.51) TNKSTNKS2MEN1KMT2AKDM4E
SCHEMBL3617645 0.78 TNKS (0.47) TNKSTNKS2MEN1KMT2AKDM4E
SCHEMBL17252906 0.74 PTPN1 (0.46) TNKSTNKS2MEN1KMT2AKDM4E
SCHEMBL30885073 0.74 PTPN1 (0.46) TNKSTNKS2MEN1KMT2AKDM4E
SCHEMBL30038579 0.74 PTPN1 (0.46) TNKSTNKS2MEN1KMT2AKDM4E
SCHEMBL31305752 0.71 TNKS (0.53) TNKSTNKS2MEN1KMT2AKDM4E
SCHEMBL16867080 0.70 PTPN1 (0.47) TNKSTNKS2MEN1KMT2AKDM4E
SCHEMBL26422234 0.70 PTPN1 (0.47) TNKSTNKS2MEN1KMT2AKDM4E
SCHEMBL793946 0.70 MAPT (0.47) TNKSTNKS2MEN1KMT2AKDM4E
SCHEMBL29613219 0.70 PARP1 (0.59) TNKSTNKS2GSK3BMEN1KMT2A

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8518964-B2 Tricyclic compounds useful as inhibitors of kinases MERCK SHARP & DOHME CORP. (US) 2013-08-27 US disclosed
US-8518964-B2 Tricyclic compounds useful as inhibitors of kinases MERCK SHARP & DOHME CORP. (US) 2013-08-27 US disclosed
US-8518964-B2 Tricyclic compounds useful as inhibitors of kinases MERCK SHARP & DOHME CORP. (US) 2013-08-27 US disclosed
EP-1954290-B1 TRICYCLIC COMPOUNDS USEFUL AS INHIBITORS OF KINASES MERCK SHARP & DOHME (US) 2012-07-25 EP disclosed
EP-1954290-B1 TRICYCLIC COMPOUNDS USEFUL AS INHIBITORS OF KINASES MERCK SHARP & DOHME (US) 2012-07-25 EP disclosed
US-20100048551-A1 Tricyclic Compounds Useful as Inhibitors of Kinases MERCK SHARP & DOHME LLC 2010-02-25 US disclosed
US-20100048551-A1 Tricyclic Compounds Useful as Inhibitors of Kinases MERCK SHARP & DOHME LLC 2010-02-25 US disclosed
US-20100048551-A1 Tricyclic Compounds Useful as Inhibitors of Kinases MERCK SHARP & DOHME LLC 2010-02-25 US disclosed
EP-1954290-A2 TRICYCLIC COMPOUNDS USEFUL AS INHIBITORS OF KINASES Merck & Co., Inc. (US) 2008-08-13 EP disclosed
WO-2007061764-A2 TRICYCLIC COMPOUNDS USEFUL AS INHIBITORS OF KINASES MERCK & CO., INC. (US) 2007-05-31 WO disclosed
WO-2007061764-A2 TRICYCLIC COMPOUNDS USEFUL AS INHIBITORS OF KINASES MERCK & CO., INC. (US) 2007-05-31 WO 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-20100048551-A1 Tricyclic Compounds Useful as Inhibitors of Kinases JAK2, JAK3, JAK1 TNKS 95/4885TNKS2 135/4885GSK3B 157/4885

“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.