Sugi Predict

Sugi Predict / Compounds / SCHEMBL3609325

SCHEMBL3609325

SCHEMBL3609325

COc1ccc(CNc2ncc(C#N)c3sc4cc(-c5cccnc5)ccc4c23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CLK4 Q9HAZ1 7/20 0.44
▸ DYRK1A Q13627 2/20 0.44
▸ CYP1A2 P05177 6/20 0.42
▸ CYP3A4 P08684 6/20 0.42
▸ CYP2D6 P10635 6/20 0.42
▸ CYP2C19 P33261 6/20 0.42
▸ HSD17B10 Q99714 6/20 0.42
▸ USP2 O75604 4/20 0.42
▸ LMNA P02545 4/20 0.42
▸ MAPK1 P28482 4/20 0.42
▸ ALDH1A1 P00352 5/20 0.42
▸ HIF1A Q16665 3/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ PDE5A O76074 2/20 0.41
▸ CYP19A1 P11511 2/20 0.39
▸ LIMK1 P53667 1/20 0.39
▸ USP1 O94782 1/20 0.39
▸ WDR48 Q8TAF3 1/20 0.39
▸ CYP17A1 P05093 1/20 0.39
▸ CYP11B1 P15538 1/20 0.39

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
SCHEMBL3609329 0.86 SRC (0.42) PDE5ALIMK1MEN1KMT2ACCNC
SCHEMBL3615093 0.85 ACP1 (0.42) PDE5ALIMK1MAPT
SCHEMBL3618689 0.84 PTGS2 (0.42) PDE5ALIMK1
SCHEMBL11888533 0.84 PDE5A (0.55) CLK4DYRK1APDE5A
SCHEMBL3604672 0.83 PDE5A (0.45) PDE5AMEN1KMT2AL3MBTL1MAPT
SCHEMBL11888473 0.83 EGFR (0.47) HSD17B10LMNAMAPK1ALDH1A1PDE5A
SCHEMBL3616168 0.81 PDE5A (0.43) PDE5AKDM4E
SCHEMBL3618910 0.80 VNN1 (0.47) ALDH1A1PDE5AKDM4EHPGDMAPT
SCHEMBL3608480 0.78 PDE5A (0.42) PDE5AMAPT
SCHEMBL3608487 0.78 PDE5A (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 10 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

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 CLK4 528/4885DYRK1A 370/4885CYP1A2 3532/4885

“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.