SCHEMBL3608487

SCHEMBL3608487

COc1ccc(CNc2ncc(C#N)c3sc4cc(C=Cc5ccc(F)cc5)ccc4c23)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.42
MAP2K4 P45985 1/20 0.41
GAA P10253 4/20 0.40
POLB P06746 1/20 0.39
SRC P12931 2/20 0.39
MAPT P10636 3/20 0.38
NPC1 O15118 1/20 0.38
CHRM4 P08173 1/20 0.37
NFE2L2 Q16236 1/20 0.37
VNN1 O95497 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GRM5 P41594 1/20 0.35
HTT P42858 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
SCHEMBL3608480 1.00 PDE5A (0.42) PDE5AMAP2K4GAAPOLBSRC
SCHEMBL11888533 0.84 PDE5A (0.55) PDE5ANPC1VNN1HTT
SCHEMBL11888432 0.84 MAPT (0.43) MAP2K4GAAMAPTVNN1
SCHEMBL3604672 0.83 PDE5A (0.45) PDE5AMAP2K4GAAPOLBMAPT
SCHEMBL3616168 0.83 PDE5A (0.43) PDE5AMAP2K4NPC1
SCHEMBL11888473 0.81 EGFR (0.47) PDE5AGAAPOLBMAPTNPC1
SCHEMBL3618910 0.80 VNN1 (0.47) PDE5AMAPTNPC1VNN1
SCHEMBL3615093 0.80 ACP1 (0.42) PDE5AMAPT
SCHEMBL3609329 0.79 SRC (0.42) PDE5ASRCNPC1VNN1HTT
SCHEMBL3609325 0.78 CLK4 (0.44) 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 3 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
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

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 4133/4885MAP2K4 427/4885GAA 2768/4885

“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.