SCHEMBL3130833

SCHEMBL3130833

N#Cc1ncn(Cc2ccccc2)c1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.47
PI4KA P42356 1/20 0.47
PI4K2B Q8TCG2 1/20 0.47
PI4K2A Q9BTU6 1/20 0.47
PI4KB Q9UBF8 1/20 0.47
CYP11B1 P15538 2/20 0.46
CYP11B2 P19099 2/20 0.46
TNF P01375 1/20 0.46
TSHR P16473 3/20 0.46
PKM P14618 2/20 0.45
CTSL P07711 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 2/20 0.42
HPGD P15428 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PNP P00491 2/20 0.42

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
SCHEMBL15432504 0.83 CYP11B1 (0.43) ADORA2ACYP11B1CYP11B2PKMLMNA
SCHEMBL5744439 0.82 CYP11B1 (0.47) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL20343821 0.78 GAA (0.46) ADORA2ACYP11B1CYP11B2TNFTSHR
SCHEMBL14944585 0.78 CYP11B1 (0.40) CYP11B1CYP11B2PKMLMNA
SCHEMBL7002919 0.77 ADORA2A (0.50) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL4055988 0.77 ADORA2A (0.41) ADORA2ACYP11B1CYP11B2TSHRPKM
SCHEMBL14105606 0.75 TSHR (0.47) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL14431892 0.75 HPGD (0.45) ADORA2ACYP11B1CYP11B2TNFTSHR
SCHEMBL4639433 0.75 SMN1; SMN2 (0.36) PKMLMNAMEN1ALDH1A1KMT2A
SCHEMBL22639937 0.74 QPCT (0.50) ADORA2ATSHRLMNAHPGDMEN1

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 23 patents — showing the first 20. 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-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
WO-2013068438-A1 PURINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN R&D IRELAND (IE) 2013-05-16 WO disclosed
US-7642350-B2 Purine derivatives PFIZER LIMITED (GB) 2010-01-05 US disclosed
US-7393954-B2 Process for the production of pentostatin aglycone and pentostatin RELIABLE BIOPHARMACEUTICAL CORPORATION (US) 2008-07-01 US disclosed
US-7393954-B2 Process for the production of pentostatin aglycone and pentostatin RELIABLE BIOPHARMACEUTICAL CORPORATION (US) 2008-07-01 US disclosed
US-20060264448-A1 Purine derivatives PFIZER LIMITED 2006-11-23 US disclosed
WO-2006117670-A1 2-AMIDO-6-AMINO-8-OXOPURINE DERIVATIVES AS TOLL-LIKE RECEPTOR MODULATORS FOR THE TREATMENT OF CANCER AND VIRAL INFECTIONS, SUCH AS HEPATITIS C PFIZER LIMITED (GB) 2006-11-09 WO disclosed
EP-1069126-B1 TRIAZOLOPURINE DERIVATIVES, MEDICINAL COMPOSITION CONTAINING THE DERIVATIVES, ADENOSINE A3 RECEPTOR COMPATIBILIZING AGENT, AND ASTHMATIC REMEDY OTSUKA PHARMA CO LTD (JP) 2003-05-28 EP disclosed
EP-0915093-B1 AMIDE DERIVATIVES OTSUKA PHARMA CO LTD (JP) 2002-11-27 EP disclosed
US-6288070-B1 Triazolopurine derivatives, medicinal composition containing the derivatives, adenosine A3 receptor compatibilizing agent, and asthmatic remedy OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2001-09-11 US disclosed
CN-1066448-C Amide derivatives OTSUKA PHARMA CO LTD (JP) 2001-05-30 CN disclosed
EP-1069126-A1 TRIAZOLOPURINE DERIVATIVES, MEDICINAL COMPOSITION CONTAINING THE DERIVATIVES, ADENOSINE A3 RECEPTOR COMPATIBILIZING AGENT, AND ASTHMATIC REMEDY OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2001-01-17 EP disclosed
US-6166016-A Amide derivatives OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2000-12-26 US disclosed
CN-1221419-A Amide derivatives OTSUKA PHARMA CO LTD (JP) 1999-06-30 CN disclosed
EP-0915093-A1 AMIDE DERIVATIVES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1999-05-12 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 (5 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 ADORA2A 14/4885PI4KA 2000/4885PI4K2B 2808/4885
US-20140323441-A1 Purine derivatives for the treatment of viral infections PNP, HPRT1, TYMP ADORA2A 17/4885PI4KA 2513/4885PI4K2B 3082/4885
US-20060264448-A1 Purine derivatives TLR9, TLR7, TLR1 ADORA2A 7/4885PI4KA 2647/4885PI4K2B 3518/4885
US-20170283419-A1 PURINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS PNP, ADA, HPRT1 ADORA2A 14/4885PI4KA 2000/4885PI4K2B 2808/4885
US-20190359614-A1 PURINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS PNP, ADA, HPRT1 ADORA2A 14/4885PI4KA 2000/4885PI4K2B 2808/4885

“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.