SCHEMBL4511039

SCHEMBL4511039

N#CNC(=Nc1ccc(F)cc1)N1CC(c2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 1/20 0.44
ALDH1A1 P00352 4/20 0.41
HPGD P15428 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
PDE5A O76074 3/20 0.40
TSHR P16473 3/20 0.39
KMT2A Q03164 3/20 0.39
HTT P42858 2/20 0.39
MEN1 O00255 2/20 0.39
PTGS2 P35354 2/20 0.39
KDM4E B2RXH2 2/20 0.38
USP2 O75604 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TP53 P04637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CREBBP Q92793 1/20 0.38
ATM Q13315 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
SCHEMBL4520697 1.00 TYK2 (0.44) TYK2ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL4511633 0.85 PDE9A (0.35) TYK2ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL4514317 0.85 PDE9A (0.35) TYK2ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL4512423 0.82 TYK2 (0.45) TYK2ALDH1A1HPGDPDE5ATSHR
SCHEMBL4516246 0.82 TYK2 (0.45) TYK2ALDH1A1HPGDPDE5ATSHR
SCHEMBL4502029 0.79 POLB (0.49) TYK2ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL4515133 0.77 TYK2 (0.48) TYK2ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL4501324 0.77 ALDH1A1 (0.47) TYK2ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL4510202 0.77 TYK2 (0.58) TYK2ALDH1A1HPGDSMN1; SMN2PDE5A
SCHEMBL4510948 0.74 TYK2 (0.53) TYK2ALDH1A1HPGDPDE5ATSHR

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 3816/4885ALDH1A1 240/4885HPGD 132/4885

“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.