SCHEMBL6070100

SCHEMBL6070100

CCOC(=O)c1c(C)nn(-c2ncccc2N)c1C

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.62
PDE4D Q08499 4/20 0.60
PDE4B Q07343 2/20 0.55
MAPT P10636 1/20 0.47
P2RY12 Q9H244 2/20 0.47
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 3/20 0.43
TSHR P16473 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HSD17B10 Q99714 1/20 0.43
SLC34A1 Q06495 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL6070326 0.81 PKM (0.62) KDM4EPDE4DPDE4BMAPTP2RY12
SCHEMBL6070491 0.81 PDE4B (0.73) KDM4EPDE4DPDE4BMAPTP2RY12
SCHEMBL26659337 0.80 PDE4D (0.66) KDM4EPDE4DPDE4BMAPTP2RY12
SCHEMBL123446 0.79 PDE4D (0.67) KDM4EPDE4DPDE4BMAPTP2RY12
SCHEMBL28827465 0.76 ALDH1A1 (0.47) KDM4EMAPK1ALDH1A1NPC1RAB9A
SCHEMBL4314951 0.76 PDE4D (1.00) PDE4DPDE4BMAPTP2RY12ALDH1A1
SCHEMBL6069548 0.75 PDE4D (1.00) PDE4DPDE4BMAPTP2RY12ALDH1A1
SCHEMBL29437212 0.75 PDE4B (0.54) KDM4EPDE4DPDE4BMAPTP2RY12
SCHEMBL22558023 0.75 PDE4B (0.54) KDM4EPDE4DPDE4BMAPTP2RY12
SCHEMBL29437215 0.75 PDE4B (0.54) KDM4EPDE4DPDE4BMAPTP2RY12

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030236412-A1 Cyclic AMP-specific phosphodiesterase inhibitors ICOS CORPORATION 2003-12-25 US claimed
US-7087634-B2 Cyclic AMP-specific phosphodiesterase inhibitors ICOS CORPORATION (US) 2006-08-08 US disclosed
US-20030236412-A1 Cyclic AMP-specific phosphodiesterase inhibitors ICOS CORPORATION 2003-12-25 US disclosed
US-6569885-B1 Such as 1-(4-bromophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid ethyl ester; side effect reduction; for treatment of central nervous system disorders ICOS CORPORATION 2003-05-27 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-20030236412-A1 Cyclic AMP-specific phosphodiesterase inhibitors PDE4A, PDE4B, PDE7A KDM4E 2444/4885PDE4D 5/4885PDE4B 2/4885

“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.