SCHEMBL5672193

SCHEMBL5672193

CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1c(Br)nc2c(N)ncnc21

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NADK O95544 2/20 0.61
▸ HSPA5 P11021 2/20 0.60
▸ HSPA8 P11142 2/20 0.60
▸ RXFP1 Q9HBX9 1/20 0.60
▸ HSD17B10 Q99714 1/20 0.53
▸ GAPDH P04406 1/20 0.53
▸ SLC28A2 O43868 1/20 0.53

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
SCHEMBL1740341 1.00 NADK (0.61) NADKHSPA5HSPA8RXFP1HSD17B10
SCHEMBL30237237 1.00 NADK (0.61) NADKHSPA5HSPA8RXFP1HSD17B10
SCHEMBL28537245 0.92 NADK (0.59) NADKHSPA5HSPA8RXFP1HSD17B10
SCHEMBL12376381 0.91 NADK (0.60) NADKHSPA5HSPA8RXFP1
SCHEMBL12360838 0.91 NADK (0.60) NADKHSPA5HSPA8RXFP1
SCHEMBL23548003 0.89 HSPA8 (0.62) HSPA5HSPA8RXFP1HSD17B10GAPDH
SCHEMBL6388256 0.89 HSPA8 (0.62) HSPA5HSPA8RXFP1HSD17B10GAPDH
SCHEMBL28087475 0.89 HSPA8 (0.62) HSPA5HSPA8RXFP1HSD17B10GAPDH
SCHEMBL1737260 0.89 HSPA8 (0.76) HSPA5HSPA8RXFP1HSD17B10GAPDH
SCHEMBL30484790 0.88 HSPA8 (0.61) HSPA5HSPA8RXFP1HSD17B10GAPDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230285556-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER OMEROS CORPORATION 2023-09-14 — — US disclosed
US-9487553-B2 Boranophosphate analogues of cyclic nucleotides BIOLOG LIFE SCIENCE INSTITUTE FORSCHUNGSLABOR UND BIOCHEMICA-VERTRIEB GMBH (DE) 2016-11-08 — — US disclosed
EP-2691403-B1 NEW BORANOPHOSPHATE ANALOGUES OF CYCLIC NUCLEOTIDES BIOLOG LIFE SCIENCE INST FORSCHUNGSLABOR UND BIOCHEMICA VERTRIEB GMBH (DE) 2016-05-18 — — EP disclosed
EP-1511757-B1 NEW COMPOUNDS FOR MODULATING THE ACTIVITY OF EXCHANGE PROTEINS DIRECTLY ACTIVATED BY CAMP (EPACS) UNIV MEDISCH CENTRUM UTRECHT (NL) 2015-11-04 — — EP disclosed
US-20140088033-A1 NEW BORANOPHOSPHATE ANALOGUES OF CYCLIC NUCLEOTIDES BIOLOG LIFE SCIENCE INSTITUTE FORSCHUNGSLABOR UND BIOCHEMICA-VERTRIEB GMBH (DE) 2014-03-27 — — US disclosed
US-7906491-B2 Compounds for modulating the activity of exchange proteins directly activated by cAMP (Epacs) UNIVISITAIR MEDISCH CENTRUM UTRECHT (NL) 2011-03-15 — — US disclosed
US-20060100166-A1 Compounds for modulating the activity of exchange proteins directly activated by camp (epacs) KYLIX B.V. (NL) 2006-05-11 — — US disclosed
EP-1511757-A1 NEW COMPOUNDS FOR MODULATING THE ACTIVITY OF EXCHANGE PROTEINS DIRECTLY ACTIVATED BY CAMP (EPACS) Kylix B.V. (NL) 2005-03-09 — — EP disclosed
WO-2003104250-A1 NEW COMPOUNDS FOR MODULATING THE ACTIVITY OF EXCHANGE PROTEINS DIRECTLY ACTIVATED BY CAMP (EPACS) KYLIX, B. V. (NL) 2003-12-18 — — 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 (3 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-20060100166-A1 Compounds for modulating the activity of exchange proteins directly activated by camp (epacs) RAPGEF3, CREB1, PDE4C NADK 1131/4885HSPA5 2446/4885HSPA8 2621/4885
US-20140088033-A1 NEW BORANOPHOSPHATE ANALOGUES OF CYCLIC NUCLEOTIDES NT5C2, NT5E, ENPP3 NADK 760/4885HSPA5 1639/4885HSPA8 2358/4885
US-20230285556-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER TP53, CD4, MCL1 NADK 2688/4885HSPA5 2282/4885HSPA8 2789/4885

“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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