SCHEMBL3609329

SCHEMBL3609329

COc1ccc(CNc2ncc(C#N)c3sc4cc(-c5ccc(CN(C)C)cc5)ccc4c23)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SRC P12931 5/20 0.42
PDE5A O76074 1/20 0.41
LIMK1 P53667 1/20 0.38
NPC1 O15118 1/20 0.36
VNN1 O95497 1/20 0.36
PRKCQ Q04759 2/20 0.36
PRKCD Q05655 2/20 0.36
HTT P42858 1/20 0.36
EED O75530 2/20 0.35
FYN P06241 1/20 0.35
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
LYN P07948 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL3615093 0.87 ACP1 (0.42) PDE5ALIMK1
SCHEMBL3618689 0.87 PTGS2 (0.42) PDE5ALIMK1VNN1HTT
SCHEMBL3609325 0.86 CLK4 (0.44) PDE5ALIMK1CCNCCDK8MEN1
SCHEMBL11888533 0.85 PDE5A (0.55) PDE5ANPC1VNN1HTT
SCHEMBL3604672 0.84 PDE5A (0.45) PDE5ANPC1VNN1HTTMEN1
SCHEMBL11888473 0.82 EGFR (0.47) PDE5ANPC1VNN1HTTCCNC
SCHEMBL3616168 0.82 PDE5A (0.43) PDE5ANPC1
SCHEMBL3618910 0.81 VNN1 (0.47) PDE5ANPC1VNN1
SCHEMBL3608487 0.79 PDE5A (0.42) SRCPDE5ANPC1VNN1HTT
SCHEMBL3608480 0.79 PDE5A (0.42) SRCPDE5ANPC1VNN1HTT

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
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

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 SRC 253/4885PDE5A 4133/4885LIMK1 706/4885

“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.