SCHEMBL3377503

SCHEMBL3377503

O=C(c1cc2ccccc2[nH]1)N1C[C](n2cc(-c3ncnc4[nH]ccc34)cn2)C1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 11/20 0.43
HDAC6 Q9UBN7 7/20 0.43
JAK2 O60674 14/20 0.42
HDAC1 Q13547 5/20 0.42
HDAC3 O15379 1/20 0.41
TYK2 P29597 1/20 0.41
JAK3 P52333 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL3375096 0.84 JAK2 (0.54) JAK1HDAC6JAK2HDAC1HDAC3
SCHEMBL3377511 0.83 JAK1 (0.46) JAK1HDAC6JAK2
SCHEMBL3376933 0.80 JAK2 (0.48) JAK1HDAC6JAK2HDAC1HDAC3
SCHEMBL872630 0.80 JAK1 (0.64) JAK1JAK2TYK2JAK3
SCHEMBL3374827 0.79 JAK2 (0.47) JAK1HDAC6JAK2HDAC1HDAC3
SCHEMBL3374887 0.79 JAK2 (0.47) JAK1HDAC6JAK2HDAC1HDAC3
SCHEMBL4102998 0.79 JAK2 (0.46) JAK1HDAC6JAK2HDAC1HDAC3
SCHEMBL3374026 0.78 JAK2 (0.51) JAK1HDAC6JAK2HDAC1HDAC3
SCHEMBL3373924 0.78 JAK2 (0.44) JAK1HDAC6JAK2HDAC1HDAC3
Trifluoroacetic Acid SCHEMBL871043 0.76 JAK2 (0.60) JAK1JAK2JAK3

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
WO-2013173506-A2 METHOD OF TREATING MUSCULAR DEGRADATION RIGEL PHARMACEUTICALS, INC. (US) 2013-11-21 WO disclosed
WO-2010039939-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES INCYTE CORPORATION (US) 2010-04-08 WO disclosed
US-20090233903-A1 AZETIDINE AND CYCLOBUTANE DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION (US) 2009-09-17 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-20090233903-A1 AZETIDINE AND CYCLOBUTANE DERIVATIVES AS JAK INHIBITORS JAK1, JAK2, JAK3 JAK1 1/4885HDAC6 1687/4885JAK2 2/4885

“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.