SCHEMBL7717445

SCHEMBL7717445

O=C(Nc1n[c]nc2[nH]cnc12)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.51
PDPK1 O15530 1/20 0.47
NT5C2 P49902 2/20 0.44
NT5E P21589 1/20 0.43
HTT P42858 1/20 0.43
BCAT2 O15382 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KCNQ3 O43525 1/20 0.40
KCNQ2 O43526 1/20 0.40
POLB P06746 2/20 0.40
HSD17B10 Q99714 1/20 0.40
P2RX3 P56373 1/20 0.40
LMNA P02545 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CCNA1 P78396 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDR P35968 2/20 0.39

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
SCHEMBL18941360 0.83 BRD4 (0.56) BRD4NPC1RAB9ALMNAMEN1
SCHEMBL23123 0.80 BRD4 (0.64) BRD4PDPK1NT5C2NT5EHTT
SCHEMBL7264355 0.80 BRD4 (0.67) BRD4NT5C2NT5EHTT
SCHEMBL8381773 0.79 BRD4 (0.63) BRD4PDPK1NT5C2NT5EHTT
SCHEMBL8121389 0.78 BRD4 (0.51) BRD4PDPK1NT5C2NT5EHTT
SCHEMBL18941373 0.77 LMNA (0.33) BRD4PDPK1POLBLMNAMEN1
SCHEMBL6463473 0.77 BRD4 (0.60) BRD4PDPK1NT5C2NT5EHTT
SCHEMBL2514195 0.74 BRD4 (0.47) BRD4PDPK1NT5C2NT5EHTT
SCHEMBL11023230 0.73 BRD4 (0.52) BRD4PDPK1NT5C2NT5EHTT
SCHEMBL16618808 0.73 NT5C2 (0.67) BRD4PDPK1NT5C2NT5ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11597745-B2 β-modified phosphoric acid compound precursor, β-modified phosphoric acid compound, reaction inhibitor and medicine containing the same, and method for inhibiting reaction JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2023-03-07 US claimed
US-5952478-A Intermediates for dinucleotide and oligonucleotide analogues NOVARTIS FINANCE CORPORATION (US) 1999-09-14 US claimed
EP-0778843-A1 INTERMEDIATES FOR DINUCLEOTIDE AND OLIGONUCLEOTIDE ANALOGUES Novartis AG (CH) 1997-06-18 EP claimed
US-5508270-A Nucleoside phosphinate compounds and compositions CIBA-GEIGY CORPORATION (US) 1996-04-16 US claimed
WO-1996008503-A1 INTERMEDIATES FOR DINUCLEOTIDE AND OLIGONUCLEOTIDE ANALOGUES NOVARTIS AG (CH) 1996-03-21 WO claimed
EP-0614906-A1 Mononucleotide analogues and intermediates therefor CIBA-GEIGY AG (CH) 1994-09-14 EP claimed
US-11597745-B2 β-modified phosphoric acid compound precursor, β-modified phosphoric acid compound, reaction inhibitor and medicine containing the same, and method for inhibiting reaction JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2023-03-07 US disclosed
US-6380378-B1 BIOSYNTHESIS TOAGOSEI COMPANY, LTD. (JP) 2002-04-30 US disclosed
US-5952478-A Intermediates for dinucleotide and oligonucleotide analogues NOVARTIS FINANCE CORPORATION (US) 1999-09-14 US disclosed
EP-0778843-A1 INTERMEDIATES FOR DINUCLEOTIDE AND OLIGONUCLEOTIDE ANALOGUES Novartis AG (CH) 1997-06-18 EP disclosed
US-5508270-A Nucleoside phosphinate compounds and compositions CIBA-GEIGY CORPORATION (US) 1996-04-16 US disclosed
WO-1996008503-A1 INTERMEDIATES FOR DINUCLEOTIDE AND OLIGONUCLEOTIDE ANALOGUES NOVARTIS AG (CH) 1996-03-21 WO disclosed
EP-0614906-A1 Mononucleotide analogues and intermediates therefor CIBA-GEIGY AG (CH) 1994-09-14 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 (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-11597745-B2 β-modified phosphoric acid compound precursor, β-modified phosphoric acid compound, reaction inhibitor and medicine containing the same, and method for inhibiting reaction PPM1A, PPM1G, PPM1F BRD4 1684/4885PDPK1 116/4885NT5C2 3957/4885

“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.