SCHEMBL3621646

SCHEMBL3621646

NC(=O)c1cnc(N)c2c1sc1cc(C=Cc3ccc(F)cc3)ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.40
JAK2 O60674 2/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
CHEK1 O14757 1/20 0.35
LIMK1 P53667 3/20 0.34
CSF1R P07333 2/20 0.34
CDC7 O00311 1/20 0.34
PLK4 O00444 1/20 0.34
DAPK3 O43293 1/20 0.34
PRKD3 O94806 1/20 0.34
CHEK2 O96017 1/20 0.34
CDK1 P06493 1/20 0.34
FES P07332 1/20 0.34
ROS1 P08922 1/20 0.34
PIM1 P11309 1/20 0.34
FGFR1 P11362 1/20 0.34
FER P16591 1/20 0.34
PRKACA P17612 1/20 0.34

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
SCHEMBL3621641 1.00 MAP4K4 (0.40) MAP4K4JAK2JAK1TYK2JAK3
SCHEMBL3618693 0.79 LIMK1 (0.47) MAP4K4JAK2JAK1TYK2JAK3
SCHEMBL3618975 0.78 JAK2 (0.39) MAP4K4JAK2JAK1TYK2JAK3
SCHEMBL3613329 0.77 ICAM1 (0.39) MAP4K4JAK2JAK1TYK2JAK3
SCHEMBL3614322 0.77 LIMK1 (0.43) MAP4K4JAK2JAK1TYK2JAK3
SCHEMBL3620149 0.75 LIMK1 (0.51) MAP4K4JAK2JAK1TYK2JAK3
SCHEMBL13503454 0.75 LIMK1 (0.45) MAP4K4JAK2JAK1TYK2JAK3
SCHEMBL10476468 0.74 JAK2 (0.39) MAP4K4JAK2JAK1TYK2JAK3
SCHEMBL3621919 0.74 CSF1R (0.48) MAP4K4JAK2JAK1TYK2JAK3
SCHEMBL3613456 0.73 LIMK1 (0.40) LIMK1TBK1LIMK2

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 7 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
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
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 MAP4K4 192/4885JAK2 1/4885JAK1 3/4885

“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.