SCHEMBL4511633

SCHEMBL4511633

CC(C)(C)n1ncc2c(=O)[nH]c(C3CN(C(=Nc4ccc(F)cc4)NC#N)C3)nc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 6/20 0.35
PDE1C Q14123 5/20 0.35
TYK2 P29597 1/20 0.35
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
POLB P06746 1/20 0.33
CYP2C9 P11712 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C19 P33261 1/20 0.33
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 2/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL4514317 1.00 PDE9A (0.35) PDE9APDE1CTYK2MEN1KMT2A
SCHEMBL4520697 0.85 TYK2 (0.44) TYK2MEN1KMT2APOLBMAPT
SCHEMBL4511039 0.85 TYK2 (0.44) TYK2MEN1KMT2APOLBMAPT
SCHEMBL4511627 0.83 PDE9A (0.40) PDE9APDE1CTYK2MEN1KMT2A
SCHEMBL4511624 0.83 PDE9A (0.40) PDE9APDE1CTYK2MEN1KMT2A
SCHEMBL4514311 0.83 PDE9A (0.40) PDE9APDE1CTYK2MEN1KMT2A
SCHEMBL4510741 0.78 TSHR (0.47) PDE9APDE1CTYK2MEN1KMT2A
SCHEMBL13865739 0.74 TYK2 (0.41) PDE9APDE1CTYK2KMT2ASMN1; SMN2
SCHEMBL13865757 0.74 TYK2 (0.42) PDE9APDE1CTYK2KMT2AMAPT
SCHEMBL13865747 0.72 TYK2 (0.40) PDE9APDE1CTYK2KMT2AMAPT

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 PDE9A 13/4885PDE1C 190/4885TYK2 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.