SCHEMBL4505146

SCHEMBL4505146

O=c1[nH]c(C2CN(Cc3nc4ccccc4s3)C2)nc2c1cnn2-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 1/20 0.49
ALDH1A1 P00352 6/20 0.45
KMT2A Q03164 3/20 0.45
HPGD P15428 2/20 0.45
MEN1 O00255 2/20 0.45
MAPT P10636 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
LMNA P02545 3/20 0.44
MAPK1 P28482 1/20 0.44
TSHR P16473 2/20 0.43
TP53 P04637 2/20 0.42
HSD17B10 Q99714 2/20 0.42
ALOX15 P16050 1/20 0.42
PDE5A O76074 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
HTT P42858 1/20 0.42
PDE9A O76083 3/20 0.41

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
SCHEMBL4505141 0.83 PDE9A (0.56) PDE5APDE9APDE1C
SCHEMBL4591180 0.79 TYK2 (0.62) TYK2ALDH1A1KMT2AHPGDMEN1
SCHEMBL4510202 0.76 TYK2 (0.58) TYK2ALDH1A1KMT2AHPGDMEN1
SCHEMBL4512357 0.75 KMT2A (0.53) TYK2ALDH1A1KMT2AHPGDMEN1
Hydrochloric Acid SCHEMBL4511418 0.74 TYK2 (0.62) TYK2ALDH1A1KMT2AHPGDMEN1
SCHEMBL4516124 0.74 TYK2 (0.54) TYK2ALDH1A1KMT2AHPGDMEN1
SCHEMBL4510948 0.73 TYK2 (0.53) TYK2ALDH1A1KMT2AHPGDMEN1
SCHEMBL4513652 0.73 TYK2 (0.50) TYK2ALDH1A1KMT2AHPGDMEN1
SCHEMBL4502011 0.73 MAPK1 (0.50) TYK2ALDH1A1HPGDMAPTLMNA
SCHEMBL4498181 0.72 TYK2 (0.56) TYK2ALDH1A1KMT2AHPGDMEN1

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 TYK2 3816/4885ALDH1A1 240/4885KMT2A 3190/4885

“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.