SCHEMBL2363033

SCHEMBL2363033

Nc1nc2cccc(-c3ccc(Br)cc3)n2n1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 4/20 0.73
EGLN2 Q96KS0 4/20 0.67
JAK1 P23458 3/20 0.67
JAK3 P52333 2/20 0.51
AHR P35869 1/20 0.50
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HPGD P15428 2/20 0.40
LMNA P02545 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
TP53 P04637 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 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 0.87 NUDT1 (0.78) NUDT1EGLN2JAK1JAK3KDM4E
SCHEMBL3200526 0.85 NUDT1 (0.76) NUDT1EGLN2JAK1JAK3KDM4E
SCHEMBL2144054 0.85 NUDT1 (1.00) NUDT1EGLN2JAK1JAK3KDM4E
SCHEMBL22499606 0.84 NUDT1 (0.73) NUDT1EGLN2JAK1JAK3KDM4E
SCHEMBL2250300 0.84 NUDT1 (0.73) NUDT1EGLN2JAK1JAK3KDM4E
SCHEMBL2730823 0.83 NUDT1 (0.68) NUDT1EGLN2JAK1JAK3KDM4E
SCHEMBL3262251 0.83 NUDT1 (0.71) NUDT1EGLN2JAK1JAK3KDM4E
SCHEMBL2730006 0.81 NUDT1 (0.69) NUDT1EGLN2JAK1JAK3NTRK1
SCHEMBL2365482 0.80 NUDT1 (0.68) NUDT1EGLN2JAK1JAK3KDM4E
SCHEMBL3210558 0.80 EGLN2 (1.00) NUDT1EGLN2JAK1JAK3JAK2

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 9 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-2361251-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES Galapagos N.V. (BE) 2011-08-31 EP 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
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 (4 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 2558/4885EGLN2 1133/4885JAK1 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 NUDT1 2719/4885EGLN2 1973/4885JAK1 2767/4885
US-10206907-B2 Compounds useful for the treatment of degenerative and inflammatory diseases TRAF6, TLR6, IL6 NUDT1 2363/4885EGLN2 824/4885JAK1 115/4885
US-20170035738-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES TLR6, TRAF6, BMP6 NUDT1 2558/4885EGLN2 1133/4885JAK1 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.