SCHEMBL6348648

SCHEMBL6348648

Cn1cnc2c1c(=O)n(CCCCCCCO)c(=O)n2C

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 7/20 0.72
▸ TNF P01375 4/20 0.72
▸ USP2 O75604 1/20 0.72
▸ LMNA P02545 1/20 0.72
▸ CYP1A2 P05177 1/20 0.72
▸ TSHR P16473 1/20 0.72
▸ NFKB1 P19838 1/20 0.72
▸ ACHE P22303 1/20 0.72
▸ PDE4A P27815 1/20 0.72
▸ PMP22 Q01453 1/20 0.72
▸ PDE4B Q07343 1/20 0.72
▸ PDE4C Q08493 1/20 0.72
▸ PDE4D Q08499 1/20 0.72
▸ SMN1; SMN2 Q16637 1/20 0.72
▸ RXFP1 Q9HBX9 1/20 0.72
▸ CHIT1 Q13231 1/20 0.62
▸ CHIA Q9BZP6 1/20 0.62
▸ GLA P06280 1/20 0.59
▸ BLM P54132 1/20 0.59
▸ AKR1B1 P15121 1/20 0.59

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
SCHEMBL6779191 1.00 ADORA2B (0.72) ADORA2BTNFUSP2LMNACYP1A2
SCHEMBL6778535 1.00 ADORA2B (0.72) ADORA2BTNFUSP2LMNACYP1A2
SCHEMBL8072134 1.00 ADORA2B (0.72) ADORA2BTNFUSP2LMNACYP1A2
SCHEMBL8062483 1.00 ADORA2B (0.72) ADORA2BTNFUSP2LMNACYP1A2
SCHEMBL9294255 1.00 ADORA2B (0.72) ADORA2BTNFUSP2LMNACYP1A2
SCHEMBL8077706 1.00 ADORA2B (0.72) ADORA2BTNFUSP2LMNACYP1A2
SCHEMBL8076183 1.00 ADORA2B (0.72) ADORA2BTNFUSP2LMNACYP1A2
SCHEMBL6774095 1.00 ADORA2B (0.72) ADORA2BTNFUSP2LMNACYP1A2
SCHEMBL757112 1.00 ADORA2B (0.72) ADORA2BTNFUSP2LMNACYP1A2
SCHEMBL6786397 1.00 ADORA2B (0.72) ADORA2BTNFUSP2LMNACYP1A2

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 10 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
US-6693105-B1 USING XANTHINYL DERIVATIVES TO REDUCE TREATMENT INDUCED TOXICITY; INHIBITING CELLULAR SIGNALING THROUGH SECOND MESSENGER PATHWAY; REDUCING CELLULAR LEVEL OF NONARACHI-DONATE PHOSPHATIDIC ACID AND DIACYLGLYCEROL CELL THERAPEUTICS, INC. 2004-02-17 — — 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
US-6133274-A TREATING DISEASE MEDIATED BY INTRACELLULAR SIGNALING THROUGH ONE OR TWO SPECIFIC INTRACELLULAR SIGNALING PATHWAYS; A XANTHINYL HAVING AT LEAST ONE NITROGEN SUBSTITUTED BY AN HYDROXYALKYL; ANTITUMOR,-CARCINOGENIC,-ARTHRITIC AGENTS CELL THERAPEUTICS, INC. (US) 2000-10-17 — — US disclosed
US-6121270-A N-(EPOXYALKYL)XANTHINE DERIVATIVES WHICH MODULATE CELLULAR RESPONSES TO NOXIOUS, PRO-INFLAMMATORY STIMULI CELL THERAPEUTICS, INC. (US) 2000-09-19 — — US disclosed
US-5866576-A COMPOUNDS THAT ACT AS DRUGS ON THE CELLULAR AND BIOCHEMICAL LEVEL TO MODULATE CELLULAR RESPONSES TO NOXIOUS, PRO-INFLAMMATORY STIMULI. CELL THERAPEUTICS, INC. (US) 1999-02-02 — — US disclosed
US-5780476-A ADMINISTERING TO TREAT INFLAMMATORY DISEASE AND RHEUMATOID ARTHITIS CELL THERAPEUTICS, INC. (US) 1998-07-14 — — 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-20050049262-A1 Therapeutic compounds for inhibiting interleukin-12 signaling and methods for using same IL2, CCR10, CCR1 ADORA2B 3204/4885TNF 1369/4885USP2 3873/4885

“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.

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