SCHEMBL5564848

SCHEMBL5564848

CNC(=O)c1cn2c(C)c(C)nc2c2c1CCC(c1ccccc1)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.40
CYP2C9 P11712 4/20 0.40
HCAR2 Q8TDS4 1/20 0.38
RIPK1 Q13546 2/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SCD5 Q86SK9 2/20 0.36
SCD O00767 1/20 0.34
MAPT P10636 2/20 0.34
CCNA2 P20248 2/20 0.34
CDK2 P24941 2/20 0.34
CCNA1 P78396 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
PDK2 Q15119 1/20 0.33
SRD5A1 P18405 1/20 0.33

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
SCHEMBL5564813 0.89 HCAR2 (0.43) CYP3A4CYP2C9HCAR2RIPK1NPC1
SCHEMBL5567085 0.88 CYP3A4 (0.41) CYP3A4CYP2C9HCAR2RIPK1NPC1
SCHEMBL5567457 0.86 CYP3A4 (0.40) CYP3A4CYP2C9HCAR2RIPK1NPC1
SCHEMBL5567700 0.85 SPR (0.41) CYP3A4CYP2C9HCAR2RIPK1NPC1
SCHEMBL5567092 0.84 CYP3A4 (0.39) CYP3A4CYP2C9HCAR2NPC1RAB9A
SCHEMBL5568619 0.82 ALDH1A1 (0.42) CYP3A4CYP2C9NPC1RAB9AKDM4E
SCHEMBL5566450 0.81 ATP4A (0.44) CYP3A4CYP2C9RIPK1SCD5CCNA2
SCHEMBL5570682 0.81 ATP4A (0.44) CYP3A4CYP2C9RIPK1SCD5CCNA2
SCHEMBL5567363 0.81 ATP4A (0.44) CYP3A4CYP2C9RIPK1SCD5CCNA2
SCHEMBL4601224 0.80 CYP3A4 (0.61) CYP3A4CYP2C9RIPK1SCD5CCNA2

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-20070203114-A1 7,8,9,10-Tetrahydro-Imidazo [2,1-A] Isochinolines ALTANA PHARMA AG (DE) 2007-08-30 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-20070203114-A1 7,8,9,10-Tetrahydro-Imidazo [2,1-A] Isochinolines GIPR, CCKBR, SLC10A2 CYP3A4 292/4885CYP2C9 112/4885HCAR2 296/4885

“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.