SCHEMBL793946

SCHEMBL793946

O=c1[nH]ccc2sc3ccccc3c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
TDP1 Q9NUW8 3/20 0.47
BLM P54132 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 2/20 0.47
DUSP3 P51452 1/20 0.47
PTPN5 P54829 1/20 0.47
PTPN11 Q06124 1/20 0.47
MCL1 Q07820 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
TNKS O95271 2/20 0.47
TNKS2 Q9H2K2 2/20 0.47
GPR3 P46089 1/20 0.46
PARP1 P09874 4/20 0.46
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 4/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
DDAH1 O94760 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
SCHEMBL793866 0.74 TNKS (0.51) MAPTTDP1BLMMEN1KMT2A
SCHEMBL9219650 0.74 GPR3 (0.46) MAPTTDP1BLMMEN1KMT2A
SCHEMBL5140025 0.74 GPR3 (0.56) MAPTTDP1BLMMEN1KMT2A
SCHEMBL2689332 0.74 PDPK1 (0.50) MAPTTDP1BLMMEN1KMT2A
SCHEMBL30740015 0.73 TNKS (0.42) MAPTTDP1BLMMEN1KMT2A
SCHEMBL20427245 0.73 GPR3 (0.45) MAPTTDP1BLMMEN1KMT2A
SCHEMBL1636538 0.73 GPR3 (0.68) MAPTTDP1BLMMEN1KMT2A
SCHEMBL18258500 0.72 GPR3 (0.54) MAPTTDP1BLMMEN1KMT2A
SCHEMBL15122165 0.71 GPR3 (0.43) MAPTTDP1BLMMEN1KMT2A
SCHEMBL11888475 0.70 TNKS (0.51) MAPTTDP1BLMMEN1KMT2A

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 9 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
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 MAPT 3828/4885TDP1 752/4885BLM 2806/4885

“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.