SCHEMBL6494289

SCHEMBL6494289

Cc1cn(CCCN2C(=O)c3ccccc3C2=O)c(C)n1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.55
CHRM2 P08172 2/20 0.47
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 1/20 0.46
HSP90AB1 P08238 1/20 0.46

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
SCHEMBL8445858 0.81 TDP1 (0.48)
SCHEMBL4351612 0.77 TDP1 (0.66) CHRM2MEN1CYP1A2CYP2C19KMT2A
SCHEMBL3040144 0.77 ALDH1A1 (0.53) KMT2A
SCHEMBL661168 0.73 QPCT (0.52)
SCHEMBL8445961 0.73 CREBBP (0.50) CHRM2MEN1CYP1A2CYP2C19KMT2A
SCHEMBL661173 0.73 QPCT (0.51)
SCHEMBL6790333 0.73 TDP1 (0.71) CHRM2MEN1CYP1A2CYP2C19KMT2A
SCHEMBL2604742 0.71 TDP1 (0.75) CHRM2MEN1CYP1A2CYP2C19KMT2A
SCHEMBL8862728 0.71 TDP1 (0.75) CHRM2MEN1CYP1A2CYP2C19KMT2A
SCHEMBL8862878 0.71 TDP1 (0.75) CHRM2MEN1CYP1A2CYP2C19KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050159431-A1 Substituted alkyl uracils and thereof BAYER HEALTHCARE AG (DE) 2005-07-21 US disclosed
EP-1467975-A1 SUBSTITUTED ALKYL URACILS AND THE USE THEREOF Bayer HealthCare AG (DE) 2004-10-20 EP disclosed
WO-2003059892-A1 SUBSTITUTED ALKYL URACILS AND THE USE THEREOF BAYER HEALTHCARE AG (DE) 2003-07-24 WO disclosed
EP-0618907-B1 1-(ARYLALKYL-AMINOALKYL)IMIDAZOLE DERIVATIVES, PROCESSES OF PREPARATION AND USE AS THERAPEUTICAL AGENTS BRITISH TECH GROUP INT (GB) 1999-04-28 EP disclosed
US-5547972-A 1-(ARLALKYLAMINOALKYL) IMIDAZOLE DERIVATIVES THE BOOTS COMPANY PLC (GB) 1996-08-20 US disclosed
EP-0618907-A1 1-(ARYLALKYL-AMINOALKYL)IMIDAZOLE DERIVATIVES, PROCESSES OF PREPARATION AND USE AS THERAPEUTICAL AGENTS Knoll AG (DE) 1994-10-12 EP disclosed
WO-1993013075-A1 1-(ARYLALKYL-AMINOALKYL)IMIDAZOLE DERIVATIVES, PROCESSES OF PREPARATION AND USE AS THERAPEUTICAL AGENTS THE BOOTS COMPANY PLC (GB) 1993-07-08 WO 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-20050159431-A1 Substituted alkyl uracils and thereof UNG, UMPS, TYMP RXFP1 4827/4885CHRM2 4460/4885MEN1 3062/4885

“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.