SCHEMBL2218906

SCHEMBL2218906

NC(=O)c1cc(-c2cnc(Nc3ccc(NC(=O)c4ccccc4)nc3)c3ncnn23)cs1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPKAPK5 Q8IW41 2/20 0.46
RAB9A P51151 6/20 0.43
NPC1 O15118 5/20 0.43
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 4/20 0.40
MAPT P10636 1/20 0.39
MEN1 O00255 3/20 0.39
POLB P06746 1/20 0.39
AURKA O14965 2/20 0.37
AURKB Q96GD4 1/20 0.37
JAK2 O60674 1/20 0.37
HCAR3 P49019 1/20 0.37
RPS6KB1 P23443 1/20 0.37
EGLN2 Q96KS0 1/20 0.35
DEGS1 O15121 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
SCHEMBL3794612 0.88 RAB9A (0.40) MAPKAPK5RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL5575549 0.86 MAPKAPK5 (0.61) MAPKAPK5RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL13918156 0.85 RAB9A (0.39) MAPKAPK5RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL2219425 0.81 MAPKAPK5 (0.54) MAPKAPK5RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL3799149 0.76 HSD17B10 (0.41) MAPKAPK5RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL12443271 0.76 MAPKAPK5 (0.65) MAPKAPK5
SCHEMBL2219824 0.75 RET (0.43) MAPKAPK5KDM4EALDH1A1KMT2AMAPT
SCHEMBL2217160 0.75 MAPKAPK5 (0.63) MAPKAPK5
SCHEMBL12749047 0.74 MAPKAPK5 (0.61) MAPKAPK5POLB
SCHEMBL1475810 0.74 MAPKAPK5 (0.48) MAPKAPK5JAK2

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-20110178067-A1 TRIAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES ANDREWS MARTIN JAMES INGLIS 2011-07-21 US claimed
EP-2029602-B1 TRIAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2010-04-21 EP claimed
US-20080090818-A1 Triazolopyrazine compounds useful for the treatment of degenerative & inflammatory diseases GALAPAGOS NV (BE) 2008-04-17 US claimed
US-20110178067-A1 TRIAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES ANDREWS MARTIN JAMES INGLIS 2011-07-21 US disclosed
US-7915256-B2 Triazolopyrazine compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2011-03-29 US disclosed
US-20100298300-A1 TRIAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES ANDREWS MARTIN JAMES INGLIS 2010-11-25 US disclosed
US-20100298300-A1 TRIAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES ANDREWS MARTIN JAMES INGLIS 2010-11-25 US disclosed
US-7501411-B2 Triazolopyrazine compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS, NV (BE) 2009-03-10 US disclosed
US-20080090818-A1 Triazolopyrazine compounds useful for the treatment of degenerative & inflammatory diseases GALAPAGOS NV (BE) 2008-04-17 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 (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-20110178067-A1 TRIAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES PTGES, IL1B, PTGER1 MAPKAPK5 5/4885RAB9A 4209/4885NPC1 2299/4885
US-20100298300-A1 TRIAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES P2RX5, P2RX3, IL1B MAPKAPK5 18/4885RAB9A 4003/4885NPC1 2328/4885
US-20080090818-A1 Triazolopyrazine compounds useful for the treatment of degenerative & inflammatory diseases P2RX5, P2RX3, IL1B MAPKAPK5 18/4885RAB9A 4003/4885NPC1 2328/4885

“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.