SCHEMBL3604672

SCHEMBL3604672

COc1ccc(CNc2ncc(C#N)c3sc4cc(Br)ccc4c23)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.45
EGFR P00533 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 2/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
P2RX3 P56373 1/20 0.40
P2RX2 Q9UBL9 1/20 0.40
VNN1 O95497 2/20 0.39
HTT P42858 1/20 0.39
CLK1 P49759 2/20 0.38
MAP2K4 P45985 1/20 0.37
CHRM4 P08173 1/20 0.37
POLB P06746 1/20 0.37
NR2F2 P24468 1/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL11888533 0.90 PDE5A (0.55) PDE5ANPC1VNN1HTTCLK1
SCHEMBL11888473 0.86 EGFR (0.47) PDE5AEGFRMEN1KMT2ANPC1
SCHEMBL3616168 0.86 PDE5A (0.43) PDE5ANPC1MAP2K4
SCHEMBL3618910 0.85 VNN1 (0.47) PDE5ANPC1MAPTVNN1
SCHEMBL11888431 0.85 MEN1 (0.42) PDE5AEGFRMEN1KMT2ANPC1
SCHEMBL3609329 0.84 SRC (0.42) PDE5AMEN1KMT2ANPC1VNN1
SCHEMBL3609325 0.83 CLK4 (0.44) PDE5AMEN1KMT2AMAPTL3MBTL1
SCHEMBL3608480 0.83 PDE5A (0.42) PDE5ANPC1GAAMAPTVNN1
SCHEMBL3608487 0.83 PDE5A (0.42) PDE5ANPC1GAAMAPTVNN1
SCHEMBL3615093 0.83 ACP1 (0.42) PDE5AMAPT

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 PDE5A 4133/4885EGFR 1180/4885MEN1 2651/4885

“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.