SCHEMBL6347294

SCHEMBL6347294

C[C@@H](O)CCCCn1c(=O)c2[nH]c(COCc3ccccc3)nc2n(C)c1=O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.48
ALDH1A1 P00352 2/20 0.45
CYP2C19 P33261 2/20 0.45
TSHR P16473 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ADORA2B P29275 2/20 0.43
ADORA2A P29274 2/20 0.43
ADORA1 P30542 2/20 0.43
ADORA3 P0DMS8 1/20 0.43
MEN1 O00255 1/20 0.41
PDE5A O76074 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
BLM P54132 1/20 0.41
PDE1A P54750 1/20 0.41
PDE1B Q01064 1/20 0.41
KMT2A Q03164 1/20 0.41
PDE1C Q14123 1/20 0.41

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
SCHEMBL6347297 1.00 PABPC1 (0.48) PABPC1ALDH1A1CYP2C19TSHRSMN1; SMN2
SCHEMBL6356972 0.88 PABPC1 (0.45) PABPC1ALDH1A1CYP2C19TSHRSMN1; SMN2
SCHEMBL6347013 0.80 POLB (0.42) ALDH1A1CYP2C19TSHRMEN1PDE5A
SCHEMBL6347008 0.80 POLB (0.42) ALDH1A1CYP2C19TSHRMEN1PDE5A
SCHEMBL4727164 0.78 ADORA1 (0.43) ALDH1A1CYP2C19TSHRADORA1MEN1
SCHEMBL7643688 0.78 ADORA1 (0.43) ALDH1A1CYP2C19TSHRADORA1MEN1
SCHEMBL6356975 0.76 PABPC1 (0.60) PABPC1ALDH1A1CYP2C19TSHRSMN1; SMN2
SCHEMBL8126108 0.76 PDE2A (0.54) CYP2C19SMN1; SMN2ADORA2BADORA2AADORA1
SCHEMBL8128491 0.76 PDE2A (0.54) CYP2C19SMN1; SMN2ADORA2BADORA2AADORA1
SCHEMBL8126523 0.76 PDE2A (0.54) CYP2C19SMN1; SMN2ADORA2BADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1171442-B1 XANTHINE DERIVATIVES AND ANALOGS AS CELL SIGNALLING INHIBITORS CELL THERAPEUTICS INC (US) 2005-12-07 EP disclosed
US-6878715-B1 Therapeutic compounds for inhibiting interleukin-12 signals and method for using same CELL THERAPEUTICS, INC. (US) 2005-04-12 US disclosed
US-20050049262-A1 Therapeutic compounds for inhibiting interleukin-12 signaling and methods for using same CELL THERAPEUTICS, INC. (US) 2005-03-03 US disclosed
EP-1171442-A1 XANTHINE DERIVATIVES AND ANALOGS AS CELL SIGNALLING INHIBITORS CELL THERAPEUTICS, INC. (US) 2002-01-16 EP disclosed
WO-2000061583-A1 XANTHINE DERIVATIVES AND ANALOGS AS CELL SIGNALING INHIBITORS CELL THERAPEUTICS, INC. (US) 2000-10-19 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-20050049262-A1 Therapeutic compounds for inhibiting interleukin-12 signaling and methods for using same IL2, CCR10, CCR1 PABPC1 3153/4885ALDH1A1 1906/4885CYP2C19 3347/4885

“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.