SCHEMBL5550318

SCHEMBL5550318

Nc1ncc(-c2cccc(-c3ccccc3)c2)c2sccc12

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP3K8 P41279 3/20 0.53
MAPK1 P28482 1/20 0.52
MAP2K1 Q02750 1/20 0.52
DYRK1A Q13627 1/20 0.49
MAP4K4 O95819 3/20 0.40
ATR Q13535 1/20 0.40
ADORA2A P29274 2/20 0.39
BRAF P15056 2/20 0.39
USP7 Q93009 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
LIMK1 P53667 2/20 0.37
CDC7 O00311 1/20 0.36
CLK1 P49759 1/20 0.36
DBF4 Q9UBU7 1/20 0.36
ADORA1 P30542 2/20 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
SCHEMBL27904957 0.78 BTK (0.59) DYRK1A
SCHEMBL5550688 0.75 BRAF (0.49) MAP3K8MAPK1MAP2K1BRAF
SCHEMBL5553871 0.75 MAP3K8 (0.86) MAP3K8MAPK1MAP2K1DYRK1AMAP4K4
SCHEMBL17165803 0.75 DYRK1A (0.53) MAP2K1DYRK1AMAP4K4JAK2JAK3
SCHEMBL3826251 0.71 DYRK1A (0.56) MAP2K1DYRK1AMAP4K4ADORA2AJAK2
SCHEMBL5553863 0.70 MAP3K8 (0.44) MAP3K8MAPK1MAP2K1ADORA2ALIMK1
SCHEMBL13613569 0.69 JAK2 (0.50) MAP3K8MAPK1MAP2K1ADORA2AJAK2
SCHEMBL27631899 0.69 DHFR (0.69) MAP3K8MAPK1MAP2K1ADORA2AADORA1
SCHEMBL5555013 0.69 MAP3K8 (0.57) MAP3K8MAPK1MAP2K1DYRK1AJAK3
SCHEMBL15089131 0.67 MAP4K4 (0.47) MAP3K8MAP4K4ADORA2AUSP7LIMK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1753428-A2 KINASE INHIBITORS AS THERAPEUTIC AGENTS Abbott Laboratories (US) 2007-02-21 EP disclosed
US-20060074102-A1 Kinase inhibitors as therapeutic agents ABBOTT LABORATORIES 2006-04-06 US disclosed
WO-2005110410-A2 KINASE INHIBITORS AS THERAPEUTIC AGENTS ABBOTT LABORATORIES (US) 2005-11-24 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-20060074102-A1 Kinase inhibitors as therapeutic agents ABL1, MAP3K19, MAP3K20 MAP3K8 13/4885MAPK1 39/4885MAP2K1 216/4885

“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.