SCHEMBL4221771

SCHEMBL4221771

O=C(O)C=Cc1cnc(N[C@@H]2CCN(Cc3cccc(Cl)c3)C2)cn1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.51
JAK1 P23458 2/20 0.51
TYK2 P29597 2/20 0.51
JAK3 P52333 2/20 0.51
ROCK2 O75116 4/20 0.49
ROCK1 Q13464 4/20 0.49
CCR2 P41597 3/20 0.49
SIGMAR1 Q99720 3/20 0.48
HDAC8 Q9BY41 1/20 0.46
MAPK1 P28482 1/20 0.45
MC4R P32245 2/20 0.44
SCN1A P35498 1/20 0.44
SCN8A Q9UQD0 1/20 0.44
FAAH O00519 1/20 0.43
ACHE P22303 1/20 0.43
BACE1 P56817 1/20 0.43
DRD4 P21917 2/20 0.43

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
SCHEMBL4221760 1.00 JAK2 (0.51) JAK2JAK1TYK2JAK3ROCK2
SCHEMBL4217096 0.95 ROCK2 (0.51) JAK2JAK1TYK2JAK3ROCK2
SCHEMBL4217086 0.95 ROCK2 (0.51) JAK2JAK1TYK2JAK3ROCK2
SCHEMBL4227610 0.92 SIGMAR1 (0.49) JAK1ROCK2ROCK1CCR2SIGMAR1
SCHEMBL4227618 0.92 SIGMAR1 (0.49) JAK1ROCK2ROCK1CCR2SIGMAR1
SCHEMBL4229313 0.91 HDAC8 (0.55) JAK2JAK1TYK2JAK3ROCK2
SCHEMBL4229330 0.91 HDAC8 (0.55) JAK2JAK1TYK2JAK3ROCK2
Hydrochloric Acid SCHEMBL4228509 0.91 HDAC8 (0.55) JAK2JAK1TYK2JAK3ROCK2
Hydrochloric Acid SCHEMBL4228518 0.91 HDAC8 (0.55) JAK2JAK1TYK2JAK3ROCK2
SCHEMBL4215265 0.90 BCHE (0.49) JAK2JAK1TYK2JAK3ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7557127-B2 HDAC inhibitor ASTELLAS PHARMA INC. (JP) 2009-07-07 US disclosed
US-20090054464-A1 HDAC INHIBITOR ASTELLAS PHARMA INC. (JP) 2009-02-26 US disclosed
US-7465731-B2 HDAC inhibitor ASTELLAS PHARMA INC. (JP) 2008-12-16 US disclosed
US-20060052599-A1 HDAC inhibitor ASTELLAS PHARMA INC. (JP) 2006-03-09 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 (2 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-20060052599-A1 HDAC inhibitor HDAC1, HDAC2, HDAC11 JAK2 1495/4885JAK1 3077/4885TYK2 1259/4885
US-20090054464-A1 HDAC INHIBITOR HDAC1, HDAC2, HDAC8 JAK2 1640/4885JAK1 3296/4885TYK2 1205/4885

“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.