SCHEMBL4514708

SCHEMBL4514708

O=c1[nH]c(C2CN(c3ccccc3CN3CCOCC3)C2)nc2c1cnn2-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.49
TYK2 P29597 1/20 0.46
PDE9A O76083 4/20 0.43
PDE1C Q14123 3/20 0.43
MAPT P10636 1/20 0.42
CREBBP Q92793 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 5/20 0.41
TSHR P16473 3/20 0.41
HPGD P15428 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HTT P42858 2/20 0.40
PDE5A O76074 2/20 0.40
TP53 P04637 1/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CFTR P13569 1/20 0.40

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
SCHEMBL4502011 0.88 MAPK1 (0.50) MAPK1TYK2PDE9APDE1CMAPT
SCHEMBL4514703 0.85 PDE9A (0.55) PDE9APDE1C
SCHEMBL4515601 0.83 MAPK1 (0.44) MAPK1TYK2PDE9APDE1CMAPT
SCHEMBL4591180 0.82 TYK2 (0.62) MAPK1TYK2MAPTCREBBPHSD17B10
SCHEMBL4504690 0.78 TYK2 (0.49) MAPK1TYK2HSD17B10ALDH1A1TSHR
SCHEMBL4498181 0.75 TYK2 (0.56) MAPK1TYK2MAPTCREBBPHSD17B10
SCHEMBL4513101 0.75 MAPK1 (0.51) MAPK1TYK2PDE9AMAPTALDH1A1
SCHEMBL4510623 0.74 TYK2 (0.55) MAPK1TYK2MAPTCREBBPHSD17B10
SCHEMBL4516124 0.73 TYK2 (0.54) MAPK1TYK2PDE9APDE1CMAPT
SCHEMBL17506173 0.73 TYK2 (0.57) MAPK1TYK2ALDH1A1TSHRHPGD

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 1 patent. 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

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 MAPK1 1550/4885TYK2 3816/4885PDE9A 13/4885

“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.