SCHEMBL6045358

SCHEMBL6045358

O=C(CN1CCNCC1CCO)N1c2ccccc2Oc2ccc(Cl)cc21

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.43
P2RX4 Q99571 3/20 0.40
TP53 P04637 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
CYP2C19 P33261 1/20 0.36
THPO P40225 1/20 0.36
PMP22 Q01453 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL9419643 0.91 CA1 (0.40) P2RX4ALDH1A1ALOX15
SCHEMBL6045312 0.80 PIM1 (0.56) PIM1TP53MEN1ALDH1A1CYP1A2
SCHEMBL6045308 0.80 PIM1 (0.56) PIM1TP53MEN1ALDH1A1CYP1A2
SCHEMBL6045322 0.74 USP2 (0.52) P2RX4TP53ALDH1A1ALOX15
SCHEMBL6045372 0.73 USP2 (0.51) P2RX4TP53ALDH1A1ALOX15
SCHEMBL6045315 0.73 MEN1 (0.53) P2RX4TP53MEN1ALDH1A1MAPT
SCHEMBL6045244 0.72 PIM1 (0.41) PIM1MEN1KMT2A
Pyrrolidine SCHEMBL6045325 0.68 MAPT (0.55) PIM1P2RX4MEN1ALDH1A1CYP1A2
Piperidine SCHEMBL6045374 0.67 MAPT (0.54) PIM1P2RX4MEN1ALDH1A1CYP1A2
Morpholine SCHEMBL6045317 0.66 MAPT (0.53) PIM1P2RX4MEN1ALDH1A1CYP1A2

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-20060241108-A1 Substituted phenoxazines and acridones as inhibitors of AKT ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2006-10-26 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-20060241108-A1 Substituted phenoxazines and acridones as inhibitors of AKT AKT1S1, AKT3, PIK3CA PIM1 572/4885P2RX4 1184/4885TP53 401/4885

“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.