SCHEMBL2238677

SCHEMBL2238677

CN(c1ccc(-c2cccc3nc(NC(=O)C4CC4)nn23)cc1)c1cccnc1

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 9/20 0.74
TYK2 P29597 3/20 0.74
JAK1 P23458 12/20 0.67
IKBKB O14920 1/20 0.62
RIPK2 O43353 1/20 0.62
LCK P06239 1/20 0.62
SYK P43405 1/20 0.62
GSK3B P49841 1/20 0.62
JAK3 P52333 1/20 0.62
PTK2B Q14289 1/20 0.62

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
SCHEMBL15653679 0.89 JAK1 (0.70) JAK2TYK2JAK1
SCHEMBL2239825 0.86 TYK2 (0.70) JAK2TYK2JAK1IKBKBRIPK2
SCHEMBL2238541 0.85 JAK2 (1.00) JAK2TYK2JAK1IKBKBRIPK2
SCHEMBL13031330 0.85 JAK2 (0.76) JAK2TYK2JAK1IKBKBRIPK2
SCHEMBL7966877 0.83 JAK1 (0.79) JAK2TYK2JAK1
SCHEMBL2237981 0.83 TYK2 (0.68) JAK2TYK2JAK1IKBKBRIPK2
SCHEMBL2240637 0.81 JAK2 (0.77) JAK2TYK2JAK1IKBKBRIPK2
SCHEMBL2238436 0.81 JAK2 (1.00) JAK2TYK2JAK1JAK3
SCHEMBL2238042 0.80 JAK2 (1.00) JAK2TYK2JAK1
SCHEMBL2240274 0.80 JAK1 (1.00) JAK2TYK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10206907-B2 Compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2019-02-19 US claimed
US-9415037-B2 Compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2016-08-16 US claimed
US-20150150856-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES ALFASIGMA S.P.A. (IT) 2015-06-04 US claimed
US-8853240-B2 Compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2014-10-07 US claimed
EP-2361251-B1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2014-04-30 EP claimed
US-10206907-B2 Compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2019-02-19 US disclosed
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-B1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2014-04-30 EP disclosed
EP-2346864-B1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES. GALAPAGOS NV (BE) 2013-03-06 EP disclosed
US-20120309784-A1 TRIAZOLOPYRIDINE KINASE INHIBITORS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV 2012-12-06 US disclosed
US-8242274-B2 Triazolopyridine kinase inhibitors useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2012-08-14 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
US-20100291151-A1 1-METHYLPYRAZOLE MODULATORS OF SUBSTANCE P, CALCITONIN GENE-RELATED PEPTIDE, ADRENERGIC RECEPTOR, AND/OR 5-HT RECEPTOR AUSPEX PHARMACEUTICALS, INC. (US) 2010-11-18 US disclosed
US-20100029709-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GILEAD SCIENCES, INC. 2010-02-04 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 (7 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 242/4885TYK2 191/4885JAK1 100/4885
US-20100291151-A1 1-METHYLPYRAZOLE MODULATORS OF SUBSTANCE P, CALCITONIN GENE-RELATED PEPTIDE, ADRENERGIC RECEPTOR, AND/OR 5-HT RECEPTOR TACR1, HTR3A, HTR3C JAK2 2588/4885TYK2 4791/4885JAK1 2767/4885
US-10206907-B2 Compounds useful for the treatment of degenerative and inflammatory diseases TRAF6, TLR6, IL6 JAK2 222/4885TYK2 234/4885JAK1 115/4885
US-20170035738-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES TLR6, TRAF6, BMP6 JAK2 242/4885TYK2 191/4885JAK1 100/4885
US-20100029709-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES TRAF6, IL6, TLR6 JAK2 154/4885TYK2 127/4885JAK1 83/4885
US-20110190260-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES TRAF6, IL6, TLR6 JAK2 174/4885TYK2 171/4885JAK1 84/4885
US-20120309784-A1 TRIAZOLOPYRIDINE KINASE INHIBITORS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GRK6, GRK4, GRK5 JAK2 94/4885TYK2 11/4885JAK1 38/4885

“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.