SCHEMBL4902074

SCHEMBL4902074

CCC(C)c1n[nH]c2c(=O)[nH]c(N(C)Cc3sc(-c4ccccc4)nc3C)nc12

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 2/20 0.35
PPARD Q03181 5/20 0.33
PIM1 P11309 1/20 0.33
LMNA P02545 3/20 0.33
TP53 P04637 3/20 0.33
THRB P10828 2/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
MAPT P10636 1/20 0.33
KDM4E B2RXH2 1/20 0.33
KDM5B Q9UGL1 1/20 0.32
NPC1 O15118 1/20 0.31
HPGD P15428 1/20 0.31
HAO1 Q9UJM8 1/20 0.31
FFAR1 O14842 2/20 0.31

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
SCHEMBL4906536 0.72 PDE5A (0.56) KDM4EHPGD
SCHEMBL4897910 0.71 KDM4E (0.43) PDE9APPARDLMNAPPARGPPARA
SCHEMBL6366055 0.64 PDE9A (0.51) PDE9AMAPT
SCHEMBL6840453 0.61 L3MBTL1 (0.55) PPARDLMNATP53THRBMAPT
SCHEMBL13197099 0.60 FBP1 (0.50) PPARDLMNATP53THRBMAPT
SCHEMBL28155818 0.60 SMN1; SMN2 (0.51) PPARDLMNATP53THRBMAPT
SCHEMBL7693031 0.59 ALOX5 (0.57) PPARDLMNATP53THRBMAPT
SCHEMBL6367359 0.59 PDE9A (0.50) PDE9ANPC1
SCHEMBL6366064 0.59 GRIN1 (0.47) PDE9ALMNA
SCHEMBL1569202 0.58 SMN1; SMN2 (0.53) PPARDLMNATP53THRBMAPT

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-20080242661-A1 Novel compounds useful for the treatment of degenerative & inflammatory diseases GALAPAGOS NV (BE) 2008-10-02 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-20080242661-A1 Novel compounds useful for the treatment of degenerative & inflammatory diseases PDE4A, PDE7B, PDE4B PDE9A 12/4885PPARD 171/4885PIM1 4006/4885

“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.