SCHEMBL2800178

SCHEMBL2800178

CCN1CCN(C(=O)c2ccc(-c3cnc4cccc(-c5ccc(C(C)(C)N6CCS(O)(O)CC6)c(C)c5)c4n3)cc2C)CC1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 14/20 0.58
JAK1 P23458 14/20 0.58
JAK3 P52333 14/20 0.58
TYK2 P29597 13/20 0.58
NTRK1 P04629 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
USP2 O75604 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL2800182 0.94 JAK2 (0.66) JAK2JAK1JAK3TYK2L3MBTL1
SCHEMBL9100244 0.91 JAK2 (0.68) JAK2JAK1JAK3TYK2
SCHEMBL11961072 0.85 JAK2 (0.60) JAK2JAK1JAK3TYK2
SCHEMBL2802321 0.81 JAK2 (0.75) JAK2JAK1JAK3TYK2ALDH1A1
SCHEMBL2795575 0.80 JAK2 (0.88) JAK2JAK1JAK3TYK2ALDH1A1
SCHEMBL2799764 0.79 JAK2 (0.57) JAK2JAK1JAK3TYK2NTRK1
SCHEMBL2800370 0.79 JAK2 (0.75) JAK2JAK1JAK3TYK2
SCHEMBL2798728 0.78 JAK2 (0.70) JAK2JAK1JAK3TYK2POLB
SCHEMBL2826307 0.78 JAK2 (0.88) JAK2JAK1JAK3TYK2
SCHEMBL2800389 0.77 JAK2 (0.68) JAK2JAK1JAK3TYK2POLB

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
EP-2155201-B1 QUINOXALINE DERIVATIVES AS INHIBITORS OF THE TYROSINE KINASE ACTIVITY OF JANUS KINASES NOVARTIS AG (CH) 2012-08-01 EP claimed
US-8193189-B2 Quinoxaline derivatives as tyrosine kinase activity inhibitors NOVARTIS AG (CH) 2012-06-05 US claimed
US-8193189-B2 Quinoxaline derivatives as tyrosine kinase activity inhibitors NOVARTIS AG (CH) 2012-06-05 US disclosed
US-20100168062-A1 Quinoxaline Derivatives as Tyrosine Kinase Activity Inhibitors NOVARTIS AG 2010-07-01 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-20100168062-A1 Quinoxaline Derivatives as Tyrosine Kinase Activity Inhibitors JAK2, JAK1, JAK3 JAK2 1/4885JAK1 2/4885JAK3 3/4885

“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.