SCHEMBL3602007

SCHEMBL3602007

NC(=O)c1cnc(N)c2c1sc1cc(-c3cccc(C(F)(F)F)c3)ccc12

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.48
MAP4K4 O95819 1/20 0.47
LIMK1 P53667 5/20 0.46
LIMK2 P53671 1/20 0.46
KDM4E B2RXH2 1/20 0.45
MTOR P42345 2/20 0.44
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CG P48736 1/20 0.41
KIF11 P52732 1/20 0.41
CSF1R P07333 1/20 0.41
JAK2 O60674 1/20 0.41
SYK P43405 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
SCHEMBL3621919 0.91 CSF1R (0.48) PARP1MAP4K4LIMK1LIMK2CSF1R
SCHEMBL3613329 0.88 ICAM1 (0.39) PARP1MAP4K4LIMK1CSF1RJAK2
SCHEMBL3620149 0.86 LIMK1 (0.51) MAP4K4LIMK1LIMK2CSF1RJAK2
SCHEMBL11888433 0.84 LIMK1 (0.48) MAP4K4LIMK1LIMK2JAK2
SCHEMBL3618980 0.82 LIMK1 (0.56) MAP4K4LIMK1LIMK2PIK3CDPIK3CA
SCHEMBL3619480 0.82 LIMK1 (0.46) MAP4K4LIMK1LIMK2JAK2
SCHEMBL3619360 0.77 LIMK1 (0.51) MAP4K4LIMK1LIMK2CSF1RJAK2
SCHEMBL3616246 0.77 LIMK1 (0.57) MAP4K4LIMK1CSF1R
SCHEMBL3618693 0.77 LIMK1 (0.47) MAP4K4LIMK1LIMK2KDM4EJAK2
SCHEMBL3614296 0.76 LIMK1 (0.43) PARP1MAP4K4LIMK1LIMK2JAK2

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
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
EP-1954290-A2 TRICYCLIC COMPOUNDS USEFUL AS INHIBITORS OF KINASES Merck & Co., Inc. (US) 2008-08-13 EP claimed
WO-2007061764-A2 TRICYCLIC COMPOUNDS USEFUL AS INHIBITORS OF KINASES MERCK & CO., INC. (US) 2007-05-31 WO 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
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

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 PARP1 1083/4885MAP4K4 192/4885LIMK1 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.