SCHEMBL3300177

SCHEMBL3300177

Nc1ncnc2c1ncn2[C@]1(C23CC4CC(CC(C4)C2)C3)O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 3/20 0.55
PI4K2B Q8TCG2 3/20 0.55
PI4K2A Q9BTU6 3/20 0.55
PI4KB Q9UBF8 3/20 0.55
ADORA3 P0DMS8 7/20 0.52
ADORA2A P29274 5/20 0.52
SLC28A1 O00337 2/20 0.49
ADORA2B P29275 2/20 0.47
DPP4 P27487 1/20 0.47
MEN1 O00255 1/20 0.47
MAP3K7 O43318 1/20 0.47
SLC28A2 O43868 1/20 0.47
GAPDH P04406 1/20 0.47
MAPK1 P28482 1/20 0.47
ADORA1 P30542 1/20 0.47
STAT6 P42226 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
DOT1L Q8TEK3 1/20 0.47
SLC29A1 Q99808 1/20 0.47

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
SCHEMBL2401783 0.90 ADORA3 (0.50) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL8651423 0.82 PI4KA (0.52) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL1093482 0.82 ADORA3 (0.49) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL481525 0.79 ADORA3 (0.55) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL31062627 0.79 ADORA3 (0.55) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL28338709 0.79 ADORA3 (0.46) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL23042807 0.78 ADORA3 (0.54) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL5024893 0.78 ADORA3 (0.54) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL454216 0.78 ADORA3 (0.54) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL1417403 0.78 ADORA3 (0.54) PI4KAPI4K2BPI4K2API4KBADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020169140-A1 Combination therapy for reduction of toxicity of chemotherapeutic agents HOLLIS-EDEN PHARMACEUTICALS, INC. 2002-11-14 US claimed
WO-2002069949-A2 COMBINATION THERAPY FOR REDUCTION OF TOXYCITY OF CHEMOTHERAPEUTIC AGENTS PRENDERGAST PATRICK T (IE) 2002-09-12 WO claimed
US-20180311237-A1 COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING MUCOSITIS AND WEIGHT LOSS ZPNE GROUP GMBH (CH) 2018-11-01 US disclosed
US-20150031701-A1 COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING MUCOSITIS AND WEIGHT LOSS ZPNE GROUP GMBH (CH) 2015-01-29 US disclosed
US-20130259930-A1 Compositions and Methods for Preventing and Treating Mucositis and Weight Loss CASCADE ESTATE LTD. (MU) 2013-10-03 US disclosed
CN-102600200-A Compositions and methods for preventing and treating mucositis and weight loss PRENDERGAST PATRICK T 2012-07-25 CN disclosed
US-20100092547-A1 COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING MUCOSITIS AND WEIGHT LOSS ZPNE GROUP GMBH (CH) 2010-04-15 US disclosed
EP-2134347-A2 COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING MUCOSITIS AND WEIGHT LOSS Prendergast, Patrick T. (AU) 2009-12-23 EP disclosed
WO-2008110585-A2 COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING MUCOSITIS AND WEIGHT LOSS PRENDERGAST PATRICK T (AU) 2008-09-18 WO disclosed
CN-101264083-A Compositions and methods for preventing and treating mucositis and weight loss PRENDERGAST PATRICK T (AU) 2008-09-17 CN disclosed
US-20080139496-A1 COMBINATION THERAPY FOR REDUCTION OF TOXICITY OF CHEMOTHERAPEUTIC AGENTS CASCADE ESTATE LTD. (GB) 2008-06-12 US disclosed
US-20020169140-A1 Combination therapy for reduction of toxicity of chemotherapeutic agents HOLLIS-EDEN PHARMACEUTICALS, INC. 2002-11-14 US disclosed
WO-2002069949-A2 COMBINATION THERAPY FOR REDUCTION OF TOXYCITY OF CHEMOTHERAPEUTIC AGENTS PRENDERGAST PATRICK T (IE) 2002-09-12 WO disclosed
WO-1998047516-A1 COMBINATION THERAPY UTILISING 17-KETOSTEROIDS AND INTERLEUKIN INHIBITORS, OR INTERLEUKIN-10 POTIONALLY WITH INTERLEUKIN INHIBITORS PRENDERGAST PATRICK T (IE) 1998-10-29 WO disclosed
EP-0462621-A2 Use of particular compounds for manufacture of pharmaceutical formulations for treatment against various parasites, mycoplasmas, other indications and other infections Prendergast, Patrick Thomas (IE) 1991-12-27 EP 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 (4 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-20180311237-A1 COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING MUCOSITIS AND WEIGHT LOSS SI, MTPN, MUC1 PI4KA 4344/4885PI4K2B 3447/4885PI4K2A 3605/4885
US-20100092547-A1 COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING MUCOSITIS AND WEIGHT LOSS MTAP, TPMT, MUC1 PI4KA 3891/4885PI4K2B 2985/4885PI4K2A 3229/4885
US-20150031701-A1 COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING MUCOSITIS AND WEIGHT LOSS SI, MTPN, MUC1 PI4KA 4344/4885PI4K2B 3447/4885PI4K2A 3605/4885
US-20130259930-A1 Compositions and Methods for Preventing and Treating Mucositis and Weight Loss SI, MTPN, MUC1 PI4KA 4344/4885PI4K2B 3447/4885PI4K2A 3605/4885

“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.