SCHEMBL6357569

SCHEMBL6357569

C[C@H](O)CCCCn1c(=O)[nH]c2ncn(C)c2c1=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
TSHR P16473 2/20 0.52
PMP22 Q01453 2/20 0.52
ALDH1A1 P00352 1/20 0.52
CYP3A4 P08684 1/20 0.52
MAPT P10636 1/20 0.52
BLM P54132 1/20 0.52
GDA Q9Y2T3 1/20 0.40
PDE4A P27815 4/20 0.40
PDE4B Q07343 4/20 0.40
PDE4C Q08493 4/20 0.40
PDE4D Q08499 4/20 0.40
ADORA2A P29274 3/20 0.40
ADORA2B P29275 2/20 0.40
ADORA3 P0DMS8 1/20 0.40
TNF P01375 2/20 0.39
USP2 O75604 1/20 0.39
CYP1A2 P05177 1/20 0.39
NFKB1 P19838 1/20 0.39
ACHE P22303 1/20 0.39

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
SCHEMBL6344281 1.00 LMNA (0.52) LMNATSHRPMP22ALDH1A1CYP3A4
SCHEMBL6344284 1.00 LMNA (0.52) LMNATSHRPMP22ALDH1A1CYP3A4
SCHEMBL6350992 0.84 LMNA (0.46) LMNATSHRPMP22ALDH1A1CYP3A4
SCHEMBL6350987 0.84 LMNA (0.46) LMNATSHRPMP22ALDH1A1CYP3A4
SCHEMBL11442354 0.79 BLM (0.54) LMNATSHRPMP22ALDH1A1CYP3A4
SCHEMBL8061720 0.79 LMNA (0.54) LMNATSHRPMP22ALDH1A1CYP3A4
SCHEMBL8355196 0.78 CYP3A4 (0.64) LMNATSHRPMP22ALDH1A1CYP3A4
SCHEMBL5451521 0.78 ADORA2B (0.68) PDE4APDE4BPDE4CPDE4DADORA2A
Lisofylline SCHEMBL39131 0.76 ADORA2B (0.67) LMNATSHRPMP22BLMPDE4A
Lisofylline SCHEMBL680306 0.76 ADORA2B (0.67) LMNATSHRPMP22BLMPDE4A

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 LMNA 767/4885TSHR 970/4885PMP22 1559/4885

“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.