SCHEMBL9931440

SCHEMBL9931440

O=C(O)c1csc2c(NC3CCOCC3)ncnc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
MAPT P10636 1/20 0.44
BTK Q06187 2/20 0.42
ERN1 O75460 3/20 0.40
BRAF P15056 3/20 0.40
CSF1R P07333 1/20 0.39
CD38 P28907 1/20 0.39
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
IRAK4 Q9NWZ3 2/20 0.37
AURKA O14965 1/20 0.36
RPS6KB1 P23443 1/20 0.36
ADORA3 P0DMS8 2/20 0.36
ADORA1 P30542 2/20 0.36
ADORA2A P29274 1/20 0.36
MAPK1 P28482 1/20 0.35
CHRM4 P08173 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
SCHEMBL9931256 0.93 ADORA1 (0.41) JAK2JAK1MAPTBTKERN1
SCHEMBL2312296 0.91 MAPT (0.48) MAPTBTKERN1BRAFCD38
SCHEMBL9931348 0.88 MAPT (0.41) JAK2JAK1MAPTBTKERN1
SCHEMBL9931092 0.85 RPS6KB1 (0.51) MAPTERN1BRAFAURKARPS6KB1
SCHEMBL9931421 0.83 MAPT (0.43) MAPTERN1BRAFIRAK4AURKA
SCHEMBL9930225 0.81 CHRM4 (0.43) MAPTERN1BRAFAURKARPS6KB1
SCHEMBL9930629 0.81 MAPT (0.44) MAPTERN1BRAFIRAK4RPS6KB1
SCHEMBL9931387 0.78 IRAK4 (0.37) MAPTIRAK4AURKARPS6KB1MAPK1
SCHEMBL14574823 0.76 RPS6KB1 (0.60) JAK2JAK1BTKCSF1RIRAK4
SCHEMBL9930988 0.75 AURKA (0.43) JAK2JAK1MAPTBTKERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120157439-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2012-06-21 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-20120157439-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF JAK2 1184/4885JAK1 777/4885MAPT 1082/4885

“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.