SCHEMBL2950104

SCHEMBL2950104

OC[C@@H]1C=C[C@H](n2cnc3c(O)ncnc32)O1.[Na]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.40
ERBB2 P04626 1/20 0.40
ADORA3 P0DMS8 3/20 0.40
PI4KA P42356 2/20 0.40
PI4K2B Q8TCG2 2/20 0.40
PI4K2A Q9BTU6 2/20 0.40
PI4KB Q9UBF8 2/20 0.40
ADORA2A P29274 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
SLC29A1 Q99808 2/20 0.40
DPP4 P27487 1/20 0.40
MEN1 O00255 1/20 0.40
SLC28A1 O00337 1/20 0.40
MAP3K7 O43318 1/20 0.40
SLC28A2 O43868 1/20 0.40
GAPDH P04406 1/20 0.40
MAPK1 P28482 1/20 0.40
ADORA2B P29275 1/20 0.40
ADORA1 P30542 1/20 0.40
STAT6 P42226 1/20 0.40

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
SCHEMBL13238881 0.99 EGFR (0.41) EGFRERBB2ADORA3PI4KAPI4K2B
SCHEMBL2045673 0.99 EGFR (0.41) EGFRERBB2ADORA3PI4KAPI4K2B
SCHEMBL1140703 0.99 EGFR (0.41) EGFRERBB2ADORA3PI4KAPI4K2B
SCHEMBL2950100 0.97 EGFR (0.40) EGFRERBB2ADORA3PI4KAPI4K2B
SCHEMBL1980312 0.84 ADORA3 (0.57) EGFRERBB2ADORA3PI4KAPI4K2B
SCHEMBL112551 0.84 ADORA3 (0.57) EGFRERBB2ADORA3PI4KAPI4K2B
SCHEMBL13238880 0.84 POLB (0.43) EGFRERBB2ADORA3PI4KAPI4K2B
SCHEMBL7153500 0.84 ADORA3 (0.57) EGFRERBB2ADORA3PI4KAPI4K2B
SCHEMBL15759284 0.82 LMNA (0.38) EGFRERBB2ADORA3PI4KAPI4K2B
SCHEMBL2955999 0.80 BCHE (0.42) ADORA3ADORA2BBCHEALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7750153-B2 Process for the preparation of didanosine using novel intermediates HETERO DRUGS LIMITED (IN) 2010-07-06 US claimed
US-20080293938-A1 Novel Process for the Preparation of Didanosine Using Novel Intermediates HETERO DRUGS LIMITED (IN) 2008-11-27 US claimed
US-7750153-B2 Process for the preparation of didanosine using novel intermediates HETERO DRUGS LIMITED (IN) 2010-07-06 US disclosed
US-7750153-B2 Process for the preparation of didanosine using novel intermediates HETERO DRUGS LIMITED (IN) 2010-07-06 US disclosed
US-20080293938-A1 Novel Process for the Preparation of Didanosine Using Novel Intermediates HETERO DRUGS LIMITED (IN) 2008-11-27 US disclosed
US-20080293938-A1 Novel Process for the Preparation of Didanosine Using Novel Intermediates HETERO DRUGS LIMITED (IN) 2008-11-27 US disclosed
EP-1910393-A2 A NOVEL PROCESS FOR THE PREPARATION OF DIDANOSINE USING NOVEL INTERMEDIATES Hetero Drugs Limited (IN) 2008-04-16 EP disclosed
EP-1910393-A2 A NOVEL PROCESS FOR THE PREPARATION OF DIDANOSINE USING NOVEL INTERMEDIATES Hetero Drugs Limited (IN) 2008-04-16 EP disclosed
WO-2007004230-A3 A NOVEL PROCESS FOR THE PREPARATION OF DIDANOSINE USING NOVEL INTERMEDIATES HETERO DRUGS LTD (IN) 2008-04-10 WO disclosed
WO-2007004230-A2 A NOVEL PROCESS FOR THE PREPARATION OF DIDANOSINE USING NOVEL INTERMEDIATES HETERO DRUGS LIMITED (IN) 2007-01-11 WO disclosed
WO-2007004230-A2 A NOVEL PROCESS FOR THE PREPARATION OF DIDANOSINE USING NOVEL INTERMEDIATES HETERO DRUGS LIMITED (IN) 2007-01-11 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-20080293938-A1 Novel Process for the Preparation of Didanosine Using Novel Intermediates ITPA, NUDT1, IMPDH2 EGFR 3899/4885ERBB2 4401/4885ADORA3 151/4885

“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.