SCHEMBL4516124

SCHEMBL4516124

O=c1[nH]c(C2CCCN(Cc3ccccc3)C2)nc2c1cnn2-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 1/20 0.54
PDE9A O76083 6/20 0.52
PDE1C Q14123 5/20 0.52
USP30 Q70CQ3 1/20 0.49
ALDH1A1 P00352 5/20 0.48
HPGD P15428 5/20 0.48
TSHR P16473 3/20 0.48
USP2 O75604 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
MEN1 O00255 1/20 0.48
ALOX15 P16050 1/20 0.48
KMT2A Q03164 1/20 0.48
HPGDS O60760 1/20 0.47
HSD17B10 Q99714 2/20 0.47
MAPK1 P28482 1/20 0.47
CSNK2A2 P19784 1/20 0.46
CSNK2B P67870 1/20 0.46
CSNK2A1 P68400 1/20 0.46
HTT P42858 1/20 0.46
KHK P50053 1/20 0.46

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
SCHEMBL4516118 0.85 PDE9A (0.70) PDE9APDE1C
SCHEMBL4502011 0.81 MAPK1 (0.50) TYK2PDE9APDE1CALDH1A1HPGD
SCHEMBL1716743 0.80 PDE9A (0.72) PDE9APDE1CUSP30
SCHEMBL4591180 0.79 TYK2 (0.62) TYK2ALDH1A1HPGDTSHRMEN1
SCHEMBL4510202 0.78 TYK2 (0.58) TYK2ALDH1A1HPGDTSHRMEN1
SCHEMBL4515628 0.77 TYK2 (0.50) TYK2PDE9AALDH1A1HPGDTSHR
Hydrochloric Acid SCHEMBL4511418 0.77 TYK2 (0.62) TYK2ALDH1A1HPGDTSHRMEN1
SCHEMBL13865839 0.76 TYK2 (0.52) TYK2ALDH1A1HPGDTSHRUSP2
SCHEMBL13865933 0.76 HPGD (0.49) TYK2ALDH1A1HPGDTSHRUSP2
SCHEMBL13865848 0.76 HPGD (0.50) TYK2ALDH1A1HPGDTSHRUSP2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases GALAPAGOS NV (BE) 2009-05-28 US disclosed
WO-2008055959-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2008-05-15 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 (1 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-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases PDE4A, PDE7B, PDE4B TYK2 3816/4885PDE9A 13/4885PDE1C 190/4885

“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.