SCHEMBL4156178

SCHEMBL4156178

c1ncc2nc(C3CCCO3)[nH]c2n1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.32
PDE10A Q9Y233 3/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
PTGES O14684 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
MAPK8 P45983 1/20 0.30
MAPK9 P45984 1/20 0.30
MAPK10 P53779 1/20 0.30
GRIN2B Q13224 1/20 0.30

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
SCHEMBL14250446 0.96 MAPK8 (0.34) MAPK8MAPK9MAPK10
SCHEMBL22758899 0.81
SCHEMBL3952312 0.77 KDM4E (0.40) NPC1RAB9AALDH1A1CYP1A2CYP3A4
SCHEMBL2388904 0.77 GRIN2B (0.47) GRIN2B
SCHEMBL2002532 0.73 GRIN2B (0.46) GRIN2B
SCHEMBL22758916 0.71 GRIN2B (0.47) GRIN2B
SCHEMBL13049799 0.69 NPC1 (0.53) PDE10ANPC1RAB9AALDH1A1POLB
SCHEMBL2673686 0.69 NPC1 (0.53) PDE10ANPC1RAB9AALDH1A1POLB
SCHEMBL13049798 0.69 NPC1 (0.53) PDE10ANPC1RAB9AALDH1A1POLB
SCHEMBL9854786 0.69 GRIN2B (0.49) GRIN2B

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-20090048203-A1 SUBSTITUTED ADENINES AND THE USES THEREOF ASTRAZENECA AB (SE) 2009-02-19 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-20090048203-A1 SUBSTITUTED ADENINES AND THE USES THEREOF HPRT1, APRT, NUDT1 IRAK4 1601/4885PDE10A 756/4885NPC1 2463/4885

“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.