SCHEMBL4355586

SCHEMBL4355586

Cc1nnnn1-c1ccc(Oc2ncnc3c2cnn3C2CCNCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.46
TP53 P04637 5/20 0.36
POLB P06746 1/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ABL1 P00519 1/20 0.35
BCR P11274 1/20 0.35
KDR P35968 2/20 0.34
LCK P06239 1/20 0.34
SRC P12931 1/20 0.34
TEK Q02763 1/20 0.34
BRAF P15056 1/20 0.34
ALDH1A1 P00352 2/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
LMNA P02545 1/20 0.34
FLT3 P36888 1/20 0.34

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
SCHEMBL4354254 0.83 CYP3A4 (0.69) CYP3A4CYP2C9
SCHEMBL4357368 0.82 CYP3A4 (0.54) CYP3A4CYP2C9
Trifluoroacetic Acid SCHEMBL1128553 0.81 CYP3A4 (0.52) CYP3A4POLBNPC1RAB9AMAPT
SCHEMBL1128554 0.80 CYP3A4 (0.55) CYP3A4POLBNPC1RAB9AMAPT
SCHEMBL1128741 0.80 GPR119 (0.45) CYP3A4TP53POLBNPC1RAB9A
SCHEMBL4350332 0.80 GPR119 (0.45) CYP3A4TP53POLBNPC1RAB9A
SCHEMBL4358055 0.79 CYP3A4 (0.48) CYP3A4TP53POLBABL1BCR
SCHEMBL1128588 0.78 CYP3A4 (0.70) CYP3A4FLT3CYP2C9
SCHEMBL4358365 0.77 ABL1 (0.57) CYP3A4ABL1BCRKDRLCK
SCHEMBL4358053 0.76 TSHR (0.55) CYP3A4TP53POLBMAPTSMN1; SMN2

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-8188098-B2 GPR119 receptor agonists HOFFMANN-LA ROCHE INC. (US) 2012-05-29 US disclosed
US-20090286812-A1 GPR119 Receptor Agonists ERICKSON SHAWN DAVID 2009-11-19 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-20090286812-A1 GPR119 Receptor Agonists GPR119, GPR27, GPR139 CYP3A4 1503/4885TP53 4286/4885POLB 4521/4885

“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.