SCHEMBL15655224

SCHEMBL15655224

CN(C)CC1CN(C(=O)c2ccc(-c3cccc4nc(N)nn34)cc2)C1

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 13/20 0.69
▸ JAK3 P52333 3/20 0.51
▸ JAK2 O60674 9/20 0.50
▸ NUDT1 P36639 1/20 0.48
▸ EGLN2 Q96KS0 1/20 0.46
▸ TYK2 P29597 1/20 0.45

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
SCHEMBL15654412 0.86 JAK1 (0.68) JAK1JAK3JAK2NUDT1EGLN2
SCHEMBL15655082 0.83 JAK2 (0.71) JAK1JAK3JAK2TYK2
Cyclopropane SCHEMBL15654133 0.83 JAK1 (0.79) JAK1JAK3JAK2TYK2
SCHEMBL15652948 0.82 JAK2 (0.68) JAK1JAK3JAK2NUDT1EGLN2
SCHEMBL2235196 0.82 JAK1 (1.00) JAK1JAK3JAK2TYK2
SCHEMBL15654636 0.81 JAK1 (0.69) JAK1JAK3JAK2NUDT1EGLN2
SCHEMBL15655295 0.81 JAK1 (0.72) JAK1JAK3JAK2TYK2
SCHEMBL15654966 0.80 JAK2 (0.70) JAK1JAK3JAK2NUDT1EGLN2
SCHEMBL15653471 0.80 JAK2 (0.68) JAK1JAK3JAK2NUDT1EGLN2
SCHEMBL15655424 0.80 JAK2 (0.71) JAK1JAK3JAK2NUDT1TYK2

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 10 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
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

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

“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.

Send feedback