SCHEMBL3613329

SCHEMBL3613329

NC(=O)c1cnc(N)c2c1sc1cc(C(F)(F)F)ccc12

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 2/20 0.39
SELE P16581 2/20 0.39
CSF1R P07333 1/20 0.39
CHEK1 O14757 1/20 0.39
KMT2A Q03164 1/20 0.39
MAP4K4 O95819 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
EPHX2 P34913 1/20 0.37
SCN4A P35499 1/20 0.37
SYK P43405 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37
LIMK1 P53667 1/20 0.37
PARP1 P09874 1/20 0.37

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) ICAM1SELECSF1RCHEK1MAP4K4
SCHEMBL3602007 0.88 PARP1 (0.48) CSF1RMAP4K4SYKJAK2LIMK1
SCHEMBL3618693 0.83 LIMK1 (0.47) MAP4K4JAK2JAK1TYK2JAK3
SCHEMBL3618975 0.81 JAK2 (0.39) ICAM1SELECSF1RMAP4K4HRH4
SCHEMBL3614322 0.81 LIMK1 (0.43) MAP4K4JAK2JAK1TYK2JAK3
SCHEMBL3620149 0.79 LIMK1 (0.51) CSF1RMAP4K4JAK2JAK1TYK2
SCHEMBL13503454 0.78 LIMK1 (0.45) MAP4K4JAK2JAK1TYK2JAK3
SCHEMBL10476468 0.78 JAK2 (0.39) CSF1RMAP4K4JAK2JAK1TYK2
SCHEMBL3621641 0.77 MAP4K4 (0.40) CSF1RCHEK1MAP4K4JAK2JAK1
SCHEMBL3621646 0.77 MAP4K4 (0.40) CSF1RCHEK1MAP4K4JAK2JAK1

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 ICAM1 2336/4885SELE 3989/4885CSF1R 1480/4885

“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.