SCHEMBL3618693

SCHEMBL3618693

NC(=O)c1ccc2c(c1)sc1c(C(N)=O)cnc(N)c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 3/20 0.47
LIMK2 P53671 1/20 0.45
CSNK2A1 P68400 1/20 0.41
HIPK2 Q9H2X6 1/20 0.41
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 1/20 0.39
MAP4K4 O95819 1/20 0.38
APP P05067 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
NNMT P40261 1/20 0.36
CHEK2 O96017 2/20 0.36
MKNK1 Q9BUB5 1/20 0.36
FYN P06241 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL3614322 0.92 LIMK1 (0.43) LIMK1LIMK2CSNK2A1HIPK2JAK2
SCHEMBL3613456 0.88 LIMK1 (0.40) LIMK1LIMK2SMN1; SMN2KDM4ENPC1
SCHEMBL3618975 0.86 JAK2 (0.39) LIMK1LIMK2CSNK2A1HIPK2JAK2
SCHEMBL3613329 0.83 ICAM1 (0.39) LIMK1JAK2JAK1TYK2JAK3
SCHEMBL3620149 0.83 LIMK1 (0.51) LIMK1LIMK2JAK2JAK1TYK2
SCHEMBL13503454 0.82 LIMK1 (0.45) LIMK1JAK2JAK1TYK2JAK3
SCHEMBL10476468 0.82 JAK2 (0.39) LIMK1LIMK2JAK2JAK1TYK2
SCHEMBL3621919 0.79 CSF1R (0.48) LIMK1LIMK2JAK2JAK1TYK2
SCHEMBL3621641 0.79 MAP4K4 (0.40) LIMK1LIMK2CSNK2A1HIPK2JAK2
SCHEMBL3618980 0.79 LIMK1 (0.56) LIMK1LIMK2MAP4K4CHEK2MKNK1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1954290-B1 TRICYCLIC COMPOUNDS USEFUL AS INHIBITORS OF KINASES MERCK SHARP & DOHME (US) 2012-07-25 EP claimed
US-20100048551-A1 Tricyclic Compounds Useful as Inhibitors of Kinases MERCK SHARP & DOHME LLC 2010-02-25 US claimed
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 LIMK1 706/4885LIMK2 653/4885CSNK2A1 97/4885

“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.