SCHEMBL13865741

SCHEMBL13865741

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 5/20 0.41
TSHR P16473 5/20 0.41
TYK2 P29597 1/20 0.40
ALDH1A1 P00352 7/20 0.40
MAPT P10636 4/20 0.40
TP53 P04637 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PDE9A O76083 3/20 0.39
PDE1B Q01064 1/20 0.39
KMT2A Q03164 4/20 0.39
HPGD P15428 5/20 0.39
USP2 O75604 4/20 0.39
MEN1 O00255 2/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 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
SCHEMBL13865739 0.91 TYK2 (0.41) TYK2SMN1; SMN2PDE9APDE1BKMT2A
SCHEMBL13865760 0.90 TYK2 (0.41) NPSR1TSHRTYK2ALDH1A1MAPT
SCHEMBL13865751 0.87 MAPT (0.41) NPSR1TSHRTYK2ALDH1A1MAPT
SCHEMBL13865785 0.85 TYK2 (0.43) NPSR1TSHRTYK2ALDH1A1MAPT
SCHEMBL13865740 0.83 PDE9A (0.55) PDE9APDE1B
SCHEMBL13865757 0.82 TYK2 (0.42) TYK2MAPTTP53SMN1; SMN2PDE9A
SCHEMBL13865766 0.81 TYK2 (0.41) NPSR1TSHRTYK2ALDH1A1MAPT
SCHEMBL13865743 0.80 KHK (0.44) NPSR1TSHRALDH1A1MAPTTP53
SCHEMBL13865747 0.80 TYK2 (0.40) TYK2MAPTTP53SMN1; SMN2PDE9A
SCHEMBL13865780 0.78 TYK2 (0.46) TYK2PDE9A

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 NPSR1 3656/4885TSHR 4657/4885TYK2 3816/4885

“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.