SCHEMBL13865751

SCHEMBL13865751

BOC(=O)N1CCCC(c2nc3c(cnn3C(C)(C)C)c(=O)[nH]2)C1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
TP53 P04637 4/20 0.41
HPGDS O60760 1/20 0.40
HPGD P15428 6/20 0.40
ALDH1A1 P00352 5/20 0.40
TSHR P16473 4/20 0.40
KMT2A Q03164 3/20 0.40
USP2 O75604 3/20 0.40
NPSR1 Q6W5P4 3/20 0.40
MEN1 O00255 1/20 0.40
ALOX15 P16050 1/20 0.40
TYK2 P29597 1/20 0.39
PDE9A O76083 3/20 0.39
PDE1B Q01064 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL13865747 0.91 TYK2 (0.40) MAPTTP53KMT2ATYK2PDE9A
SCHEMBL13865760 0.89 TYK2 (0.41) MAPTTP53HPGDALDH1A1TSHR
SCHEMBL13865741 0.87 NPSR1 (0.41) MAPTTP53HPGDALDH1A1TSHR
SCHEMBL13865785 0.84 TYK2 (0.43) MAPTTP53HPGDALDH1A1TSHR
SCHEMBL13865749 0.83 PDE9A (0.54) PDE9APDE1B
SCHEMBL13865757 0.81 TYK2 (0.42) MAPTTP53KMT2ATYK2PDE9A
SCHEMBL13865750 0.81 KHK (0.45) MAPTTP53HPGDALDH1A1TSHR
SCHEMBL13865766 0.80 TYK2 (0.41) MAPTTP53HPGDALDH1A1TSHR
SCHEMBL13865739 0.80 TYK2 (0.41) KMT2ATYK2PDE9APDE1BSMN1; SMN2
SCHEMBL4501099 0.78 NPC1 (0.39) ALDH1A1KMT2ATYK2PDE9APDE1B

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 3 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
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 MAPT 4149/4885TP53 2773/4885HPGDS 282/4885

“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.