SCHEMBL5264436

SCHEMBL5264436

CC(C)(C)OC(=O)/C(=N\N)c1cccnc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 2/20 0.46
POLB P06746 1/20 0.38
P2RX7 Q99572 1/20 0.36
MAPT P10636 2/20 0.34
HTT P42858 1/20 0.34
METAP1 P53582 1/20 0.33
SLC18A3 Q16572 1/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
RAB9A P51151 3/20 0.32
EGFR P00533 1/20 0.32
NPC1 O15118 1/20 0.32
AHR P35869 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
GRM5 P41594 1/20 0.32
GRM1 Q13255 1/20 0.32

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
SCHEMBL5264437 1.00 NAPRT (0.46) NAPRTPOLBP2RX7MAPTHTT
SCHEMBL5262998 0.81 NAPRT (0.53) NAPRTPOLBP2RX7MAPTHTT
SCHEMBL4824489 0.81 NAPRT (0.46) NAPRTPOLBP2RX7MAPTHTT
SCHEMBL4829341 0.81 NAPRT (0.46) NAPRTPOLBP2RX7MAPTHTT
SCHEMBL30661103 0.80
SCHEMBL3816678 0.80
SCHEMBL30661105 0.80
SCHEMBL3816683 0.80
SCHEMBL31405406 0.80
SCHEMBL16415899 0.78 NAPRT (0.56) NAPRTPOLBMAPTSLC18A3KDM4E

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-1814883-A1 BICYCLIC INHIBITORS OR RHO KINASE Vertex Pharmaceuticals Incorporated (US) 2007-08-08 EP disclosed
US-20060122185-A1 Bicyclic inhibitors of Rho kinase VERTEX PHARMACEUTICALS INCORPORATED 2006-06-08 US disclosed
WO-2006058120-A1 BICYCLIC INHIBITORS OR RHO KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-06-01 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-20060122185-A1 Bicyclic inhibitors of Rho kinase ROCK1, ROCK2, RHOA NAPRT 2611/4885POLB 2792/4885P2RX7 3212/4885

“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.