SCHEMBL2238602

SCHEMBL2238602

O=C(Nc1nc2cccc(-c3ccc(Br)cc3)n2n1)C1CC1

nearest known ligand 0.80

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 12/20 0.80
JAK1 P23458 12/20 0.80
TYK2 P29597 3/20 0.74
JAK3 P52333 2/20 0.74
IKBKB O14920 1/20 0.74
RIPK2 O43353 1/20 0.74
LCK P06239 1/20 0.74
SYK P43405 1/20 0.74
GSK3B P49841 1/20 0.74
PTK2B Q14289 1/20 0.74

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
SCHEMBL2185993 0.89 JAK2 (0.82) JAK2JAK1TYK2JAK3IKBKB
SCHEMBL2237531 0.89 JAK2 (1.00) JAK2JAK1TYK2JAK3IKBKB
SCHEMBL11916701 0.89 JAK1 (1.00) JAK2JAK1TYK2JAK3IKBKB
SCHEMBL7963625 0.88 JAK2 (0.80) JAK2JAK1TYK2JAK3IKBKB
SCHEMBL13031260 0.88 JAK1 (1.00) JAK2JAK1TYK2JAK3IKBKB
SCHEMBL7960595 0.88 JAK2 (0.80) JAK2JAK1TYK2JAK3IKBKB
SCHEMBL13031226 0.88 JAK2 (0.82) JAK2JAK1TYK2JAK3IKBKB
SCHEMBL13031299 0.88 JAK2 (0.80) JAK2JAK1TYK2JAK3IKBKB
SCHEMBL218914 0.87 JAK2 (0.78) JAK2JAK1TYK2JAK3
SCHEMBL217759 0.87 JAK2 (0.83) JAK2JAK1TYK2JAK3IKBKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170035738-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES ALFASIGMA S.P.A. (IT) 2017-02-09 US disclosed
US-9415037-B2 Compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2016-08-16 US disclosed
US-20150150856-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES ALFASIGMA S.P.A. (IT) 2015-06-04 US disclosed
US-8853240-B2 Compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2014-10-07 US disclosed
EP-2361251-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES Galapagos N.V. (BE) 2011-08-31 EP disclosed
US-20110190260-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES ALFASIGMA S.P.A. (IT) 2011-08-04 US disclosed
US-20110190260-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES ALFASIGMA S.P.A. (IT) 2011-08-04 US disclosed
WO-2010010190-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2010-01-28 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 (3 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-20150150856-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES TLR6, TRAF6, BMP6 JAK2 242/4885JAK1 100/4885TYK2 191/4885
US-20170035738-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES TLR6, TRAF6, BMP6 JAK2 242/4885JAK1 100/4885TYK2 191/4885
US-20110190260-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES TRAF6, IL6, TLR6 JAK2 174/4885JAK1 84/4885TYK2 171/4885

“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.