SCHEMBL15389391

SCHEMBL15389391

CCCC(C)(C(=O)O)n1cc(-c2ncnc3[nH]ccc23)cn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 18/20 0.60
HDAC6 Q9UBN7 9/20 0.50
HDAC1 Q13547 7/20 0.49
JAK1 P23458 11/20 0.48
JAK3 P52333 4/20 0.48
TYK2 P29597 3/20 0.48
HDAC3 O15379 2/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC10 Q969S8 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC5 Q9UQL6 2/20 0.48
NCOR2 Q9Y618 2/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC9 Q9UKV0 1/20 0.47
CIT O14578 1/20 0.45
GAK O14976 1/20 0.45
ROCK2 O75116 1/20 0.45
ULK1 O75385 1/20 0.45
PRKCB P05771 1/20 0.45

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
SCHEMBL15389759 0.84 AURKB (0.54) JAK2JAK1JAK3TYK2CIT
Trifluoroacetic Acid SCHEMBL15399201 0.82 JAK2 (0.66) JAK2HDAC6HDAC1JAK1JAK3
SCHEMBL99002 0.81 JAK2 (0.64) JAK2HDAC6HDAC1JAK1JAK3
SCHEMBL103973 0.80 JAK2 (0.61) JAK2HDAC6HDAC1JAK1JAK3
Trifluoroacetic Acid SCHEMBL101288 0.80 JAK2 (0.61) JAK2HDAC6HDAC1JAK1JAK3
SCHEMBL101164 0.76 JAK2 (0.58) JAK2HDAC6JAK1JAK3TYK2
SCHEMBL15399202 0.76 JAK2 (0.63) JAK2HDAC6HDAC1JAK1JAK3
SCHEMBL99729 0.76 JAK2 (0.58) JAK2HDAC6HDAC1JAK1JAK3
SCHEMBL99487 0.75 JAK2 (0.60) JAK2HDAC6JAK1JAK3TYK2
SCHEMBL19832101 0.75 JAK2 (1.00) JAK2HDAC6HDAC1JAK1JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3184526-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES AS JANUS KINASE INHIBITOR Incyte Holdings Corporation (US) 2017-06-28 EP disclosed
US-20130310340-A1 METHOD OF TREATING MUSCULAR DEGRADATION RIGEL PHARMACEUTICALS, INC. (US) 2013-11-21 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-20130310340-A1 METHOD OF TREATING MUSCULAR DEGRADATION PYGM, CKMT1A; CKMT1B, SMN1; SMN2 JAK2 4729/4885HDAC6 278/4885HDAC1 794/4885

“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.