SCHEMBL3452065

SCHEMBL3452065

Fc1ccc(Nc2ncc(-c3cncnc3)c(N3CCC(N4CCOCC4)CC3)n2)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.42
JAK2 O60674 5/20 0.42
JAK3 P52333 5/20 0.42
JAK1 P23458 4/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
FGFR1 P11362 3/20 0.41
AURKA O14965 2/20 0.41
AURKB Q96GD4 2/20 0.41
TDO2 P48775 1/20 0.41
MAPK1 P28482 1/20 0.41
FGFR4 P22455 2/20 0.41
KDR P35968 2/20 0.41
FGFR2 P21802 1/20 0.39
FGFR3 P22607 1/20 0.39
TYK2 P29597 2/20 0.39
SYK P43405 2/20 0.39
SLC9A1 P19634 1/20 0.39
ROCK2 O75116 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
SCHEMBL13310863 0.91 NPC1 (0.49) NPC1RAB9ASMN1; SMN2AURKAAURKB
SCHEMBL3448257 0.89 MAPK1 (0.47) MAPK1SLC9A1EGFR
SCHEMBL3447594 0.88 JAK2 (0.45) JAK2JAK3JAK1NPC1RAB9A
SCHEMBL3449565 0.86 MAPK1 (0.45) MAPK1SLC9A1EGFR
SCHEMBL3451371 0.85 FGFR1 (0.45) JAK2JAK3JAK1NPC1RAB9A
SCHEMBL3447505 0.85 MAPK1 (0.49) MAPK1SLC9A1EGFR
SCHEMBL3448877 0.84 JAK2 (0.45) JAK2JAK3JAK1NPC1RAB9A
SCHEMBL3426298 0.84 MAPK1 (0.48) JAK3MAPK1SLC9A1ROCK2ROCK1
SCHEMBL3449464 0.83 SLC9A1 (0.44) NPC1RAB9ASMN1; SMN2MAPK1SLC9A1
SCHEMBL13311282 0.83 NPC1 (0.52) JAK2JAK3JAK1NPC1RAB9A

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
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD IRAK4 2597/4885JAK2 1093/4885JAK3 2419/4885

“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.