SCHEMBL3200526

SCHEMBL3200526

Nc1nc2cccc(-c3ccc(O)cc3)n2n1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 4/20 0.76
JAK1 P23458 6/20 0.68
EGLN2 Q96KS0 4/20 0.68
JAK3 P52333 2/20 0.52
USP7 Q93009 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
TP53 P04637 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
JAK2 O60674 3/20 0.40
PTK2 Q05397 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
GFER P55789 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
SCHEMBL3601961 0.88 NUDT1 (0.78) NUDT1JAK1EGLN2JAK3ALDH1A1
SCHEMBL2144054 0.86 NUDT1 (1.00) NUDT1JAK1EGLN2JAK3ALDH1A1
SCHEMBL2363033 0.85 NUDT1 (0.73) NUDT1JAK1EGLN2JAK3ALDH1A1
SCHEMBL22499606 0.85 NUDT1 (0.73) NUDT1JAK1EGLN2JAK3ALDH1A1
SCHEMBL2250300 0.85 NUDT1 (0.73) NUDT1JAK1EGLN2JAK3ALDH1A1
SCHEMBL3262251 0.84 NUDT1 (0.71) NUDT1JAK1EGLN2JAK3ALDH1A1
SCHEMBL2730006 0.83 NUDT1 (0.69) NUDT1JAK1EGLN2JAK3JAK2
SCHEMBL3210558 0.81 EGLN2 (1.00) NUDT1JAK1EGLN2JAK3JAK2
SCHEMBL3264207 0.81 NUDT1 (0.72) NUDT1JAK1EGLN2JAK3ALDH1A1
SCHEMBL2365482 0.81 NUDT1 (0.68) NUDT1JAK1EGLN2JAK3ALDH1A1

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 12 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
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-20100029709-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GILEAD SCIENCES, INC. 2010-02-04 US disclosed
WO-2010010191-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 (5 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 NUDT1 2558/4885JAK1 100/4885EGLN2 1133/4885
US-10206907-B2 Compounds useful for the treatment of degenerative and inflammatory diseases TRAF6, TLR6, IL6 NUDT1 2363/4885JAK1 115/4885EGLN2 824/4885
US-20170035738-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES TLR6, TRAF6, BMP6 NUDT1 2558/4885JAK1 100/4885EGLN2 1133/4885
US-20100029709-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES TRAF6, IL6, TLR6 NUDT1 2969/4885JAK1 83/4885EGLN2 771/4885
US-20120309784-A1 TRIAZOLOPYRIDINE KINASE INHIBITORS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GRK6, GRK4, GRK5 NUDT1 2453/4885JAK1 38/4885EGLN2 2039/4885

“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.