SCHEMBL3260459

SCHEMBL3260459

Nc1nc2c(-c3ccc(C=O)cc3)cccn2n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 15/20 0.65
JAK3 P52333 8/20 0.52
JAK1 P23458 1/20 0.52
NUDT1 P36639 1/20 0.51
PTK2 Q05397 5/20 0.41
DRD1 P21728 2/20 0.36
CHEK1 O14757 1/20 0.36
DAPK3 O43293 1/20 0.36
ABL1 P00519 1/20 0.36
PRKACA P17612 1/20 0.36
LTK P29376 1/20 0.36
KDR P35968 1/20 0.36
LIMK1 P53667 1/20 0.36
ROCK1 Q13464 1/20 0.36
ALK Q9UM73 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD5 P21918 1/20 0.35
DRD3 P35462 1/20 0.35

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
SCHEMBL3260453 0.82 JAK2 (0.72) JAK2JAK3JAK1NUDT1PTK2
SCHEMBL15796859 0.82 JAK2 (0.72) JAK2JAK3JAK1NUDT1PTK2
SCHEMBL18367046 0.82 JAK2 (0.77) JAK2JAK3JAK1NUDT1PTK2
SCHEMBL2251442 0.81 JAK2 (0.70) JAK2JAK3JAK1NUDT1PTK2
SCHEMBL3260096 0.81 JAK2 (0.70) JAK2JAK3JAK1NUDT1PTK2
SCHEMBL2254342 0.81 JAK2 (0.72) JAK2JAK3JAK1NUDT1PTK2
SCHEMBL2640477 0.79 JAK2 (1.00) JAK2JAK3JAK1NUDT1PTK2
SCHEMBL2635356 0.78 JAK2 (1.00) JAK2JAK3JAK1PTK2
SCHEMBL2640589 0.77 JAK2 (1.00) JAK2JAK3JAK1NUDT1PTK2
SCHEMBL1691216 0.77 JAK2 (0.68) JAK2JAK3JAK1NUDT1PTK2

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-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
WO-2010010186-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2010-01-28 WO 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 242/4885JAK3 211/4885JAK1 100/4885
US-10206907-B2 Compounds useful for the treatment of degenerative and inflammatory diseases TRAF6, TLR6, IL6 JAK2 222/4885JAK3 277/4885JAK1 115/4885
US-20170035738-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES TLR6, TRAF6, BMP6 JAK2 242/4885JAK3 211/4885JAK1 100/4885

“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.