SCHEMBL205008

SCHEMBL205008

CC1=Nn2c(nc3cnc4ccccc4c32)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
GPR3 P46089 1/20 0.37
TLR7 Q9NYK1 2/20 0.35
CYP1A2 P05177 2/20 0.35
SSTR2 P30874 1/20 0.34
PIK3CA P42336 3/20 0.34
MTOR P42345 3/20 0.34
PIK3CD O00329 2/20 0.34
ALDH1A1 P00352 2/20 0.33
PDE10A Q9Y233 1/20 0.32
USP2 O75604 1/20 0.32
BCHE P06276 1/20 0.32
CFTR P13569 1/20 0.32
ALOX15 P16050 1/20 0.32
ACHE P22303 1/20 0.32
HKDC1 Q2TB90 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GOPC Q9HD26 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL204000 0.69 KDM4E (0.39) KDM4EGPR3TLR7CYP1A2ALDH1A1
SCHEMBL9216070 0.68 PIK3CA (0.49) KDM4EGPR3TLR7CYP1A2PIK3CA
Ammonia Solution, Strong SCHEMBL28506046 0.67 PIK3CA (0.48) KDM4EGPR3TLR7CYP1A2PIK3CA
SCHEMBL10123202 0.67 KDM4E (0.43) KDM4EGPR3TLR7CYP1A2PIK3CA
SCHEMBL2682715 0.67 KDM4E (0.43) KDM4EGPR3TLR7CYP1A2PIK3CA
SCHEMBL202473 0.67 ALDH1A1 (0.36) KDM4EGPR3TLR7SSTR2ALDH1A1
SCHEMBL202424 0.67 KDM4E (0.38) KDM4EGPR3TLR7CYP1A2ALDH1A1
Hydrochloric Acid SCHEMBL4758757 0.66 KDM4E (0.53) KDM4EGPR3TLR7CYP1A2PIK3CA
SCHEMBL202998 0.66 MEN1 (0.38) KDM4EGPR3CYP1A2ALDH1A1USP2
SCHEMBL10123167 0.66 KDM4E (0.43) KDM4ECYP1A2ALDH1A1USP2BCHE

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-8088788-B2 Substituted fused[1,2] imidazo[4,5-c] ring compounds and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-01-03 US disclosed
US-20090221551-A1 SUBSTITUTED FUSED[1,2] IMIDAZO[4,5C] RING COMPOUNDS AND METHODS PFIZER INC. 2009-09-03 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-20090221551-A1 SUBSTITUTED FUSED[1,2] IMIDAZO[4,5C] RING COMPOUNDS AND METHODS IL2, IFNG, IL4 KDM4E 2419/4885GPR3 1522/4885TLR7 69/4885

“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.