SCHEMBL796398

SCHEMBL796398

c1ccc(Sc2ncnc3nc[nH]c23)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 10/20 0.72
DBF4 Q9UBU7 10/20 0.72
G6PD P11413 1/20 0.61
NPC1 O15118 2/20 0.60
LMNA P02545 2/20 0.60
HTT P42858 2/20 0.60
RAB9A P51151 2/20 0.60
TP53 P04637 1/20 0.57
HSD17B10 Q99714 1/20 0.57
TSHR P16473 1/20 0.56
CYP1A2 P05177 2/20 0.55
ALDH1A1 P00352 1/20 0.55
HPGD P15428 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HIF1A Q16665 1/20 0.55
EGFR P00533 1/20 0.51
CSF1R P07333 1/20 0.51
HTR3E A5X5Y0 1/20 0.50
MEN1 O00255 1/20 0.50
HTR3B O95264 1/20 0.50

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
SCHEMBL31060605 0.84 CDC7 (0.73) CDC7DBF4G6PDNPC1LMNA
SCHEMBL29851680 0.76 CDC7 (1.00) CDC7DBF4NPC1LMNAHTT
SCHEMBL5997048 0.76 CDC7 (0.44) CDC7DBF4NPC1LMNAHTT
SCHEMBL2120065 0.76 CDC7 (1.00) CDC7DBF4NPC1LMNAHTT
SCHEMBL2888994 0.76 G6PD (1.00) CDC7DBF4G6PDNPC1LMNA
SCHEMBL31606731 0.76 G6PD (1.00) CDC7DBF4G6PDNPC1LMNA
SCHEMBL7834057 0.74 CDC7 (0.59) CDC7DBF4G6PDNPC1LMNA
SCHEMBL796397 0.73 LMNA (0.44) CDC7DBF4NPC1LMNAHTT
SCHEMBL30132912 0.73 HSD17B10 (1.00) CDC7DBF4G6PDNPC1LMNA
SCHEMBL240980 0.73 HSD17B10 (1.00) CDC7DBF4G6PDNPC1LMNA

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-20130231307-A1 NOVEL ANTIVIRAL ACYCLIC NUCLEOSIDE PHOSPHONATES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2013-09-05 US disclosed
EP-2616474-A1 NOVEL ANTIVIRAL ACYCLIC NUCLEOSIDE PHOSPHONATES Centre National De La Recherche Scientifique (FR) 2013-07-24 EP disclosed
WO-2012034719-A1 NOVEL ANTIVIRAL ACYCLIC NUCLEOSIDE PHOSPHONATES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-03-22 WO disclosed
US-20060009642-A1 Methods for the synthesis of substituted purines IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2006-01-12 US disclosed
US-6949644-B2 Methods for the synthesis of substituted purines IRM LLC (BM) 2005-09-27 US disclosed
EP-1529048-A4 METHODS FOR THE SYNTHESIS OF SUBSTITUTED PURINES IRM LLC (BM) 2005-09-14 EP disclosed
EP-1529048-A2 METHODS FOR THE SYNTHESIS OF SUBSTITUTED PURINES IRM LLC (BM) 2005-05-11 EP disclosed
US-20030171583-A1 Methods for the synthesis of substituted purines IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2003-09-11 US disclosed
WO-2003031405-A2 METHODS FOR THE SYNTHESIS OF SUBSTITUTED PURINES IRM LLC (BM) 2003-04-17 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-20060009642-A1 Methods for the synthesis of substituted purines PNP, ATIC, NUDT1 CDC7 3222/4885DBF4 2799/4885G6PD 589/4885
US-20130231307-A1 NOVEL ANTIVIRAL ACYCLIC NUCLEOSIDE PHOSPHONATES PNP, TYMP, EIF2AK2 CDC7 352/4885DBF4 747/4885G6PD 245/4885
US-20030171583-A1 Methods for the synthesis of substituted purines PNP, ATIC, NUDT1 CDC7 3299/4885DBF4 2951/4885G6PD 623/4885

“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.