SCHEMBL14944602

SCHEMBL14944602

N#Cc1nc(N)c2ncn(Cc3ccccc3)c2n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 14/20 0.67
PDE4A P27815 1/20 0.62
PDE4B Q07343 1/20 0.62
PDE4C Q08493 1/20 0.62
PDE4D Q08499 1/20 0.62
CTSB P07858 1/20 0.59
ADORA2A P29274 3/20 0.59
PI4KA P42356 1/20 0.59
PI4K2B Q8TCG2 1/20 0.59
PI4K2A Q9BTU6 1/20 0.59
PI4KB Q9UBF8 1/20 0.59
PNP P00491 1/20 0.53
ALDH1A1 P00352 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
HIF1A Q16665 1/20 0.51
PHLPP2 Q6ZVD8 1/20 0.51
ADORA1 P30542 1/20 0.48

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
SCHEMBL1640041 0.82 PDE4A (0.69) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL2060472 0.81 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL5731732 0.80 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL26628550 0.77 PDE4A (0.63) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL4236128 0.77 YTHDC1 (0.71) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL7205020 0.76 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL7204756 0.76 PDE4A (0.65) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL7209247 0.76 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL7209460 0.76 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL7204064 0.76 ADORA2A (0.76) CTSLPDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190359614-A1 PURINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2019-11-28 US disclosed
US-10280167-B2 Purine derivatives for the treatment of viral infections JANSSEN SCIENCES IRELAND UC (IE) 2019-05-07 US disclosed
EP-2776439-B1 PURINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UC (IE) 2018-07-04 EP disclosed
US-20170283419-A1 PURINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UC (IE) 2017-10-05 US disclosed
US-20170283419-A1 PURINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UC (IE) 2017-10-05 US disclosed
US-9556176-B2 Purine derivatives for the treatment of viral infections JANSSEN SCIENCES IRELAND UC (IE) 2017-01-31 US disclosed
US-9556176-B2 Purine derivatives for the treatment of viral infections JANSSEN SCIENCES IRELAND UC (IE) 2017-01-31 US disclosed
US-20140323441-A1 Purine derivatives for the treatment of viral infections JANSSEN SCIENCES IRELAND UC (IE) 2014-10-30 US disclosed
US-20140323441-A1 Purine derivatives for the treatment of viral infections JANSSEN SCIENCES IRELAND UC (IE) 2014-10-30 US disclosed
WO-2013068438-A1 PURINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN R&D IRELAND (IE) 2013-05-16 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 (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-10280167-B2 Purine derivatives for the treatment of viral infections PNP, ADA, HPRT1 CTSL 1961/4885PDE4A 193/4885PDE4B 245/4885
US-20140323441-A1 Purine derivatives for the treatment of viral infections PNP, HPRT1, TYMP CTSL 2116/4885PDE4A 238/4885PDE4B 281/4885
US-20170283419-A1 PURINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS PNP, ADA, HPRT1 CTSL 1961/4885PDE4A 193/4885PDE4B 245/4885
US-20190359614-A1 PURINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS PNP, ADA, HPRT1 CTSL 1961/4885PDE4A 193/4885PDE4B 245/4885

“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.