SCHEMBL14944669

SCHEMBL14944669

CC(C)(C)OC(=O)Nc1nc(Cl)nc2c1nc(O)n2Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.48
P2RX7 Q99572 1/20 0.43
NT5E P21589 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
KMT2A Q03164 1/20 0.41
YTHDC1 Q96MU7 3/20 0.39
SCD O00767 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
CYP2C9 P11712 1/20 0.39
PTGER1 P34995 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 2/20 0.38
HPGD P15428 2/20 0.38
TSHR P16473 2/20 0.38
CASP1 P29466 2/20 0.38
CASP7 P55210 2/20 0.38
HSD17B10 Q99714 2/20 0.38
CYP3A4 P08684 1/20 0.37
SCN9A Q15858 1/20 0.37

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
SCHEMBL14944672 0.88 BRD4 (0.44) BRD4P2RX7NT5EL3MBTL1KMT2A
SCHEMBL10085237 0.77 EGLN2 (0.37) BRD4NT5EYTHDC1TSHRPTGDR2
SCHEMBL10085238 0.73 TLR7 (0.49) BRD4P2RX7YTHDC1TLR7
SCHEMBL27635763 0.73 BRD4 (0.38) BRD4L3MBTL1KMT2ACYP2C9KDM4E
SCHEMBL12900335 0.71 ACHE (0.49) KMT2ACYP2C9KDM4EALDH1A1GAA
SCHEMBL3495412 0.71 BRD4 (0.48) BRD4P2RX7L3MBTL1KMT2ASCD
SCHEMBL12900318 0.69 TLR7 (0.51) TLR7
SCHEMBL27157711 0.69 NT5E (0.44) NT5EYTHDC1CDK1
SCHEMBL212714 0.69 TLR7 (0.51) BRD4TLR7
SCHEMBL213038 0.68 TLR7 (0.49) BRD4TLR7CYP2C9CYP3A4

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 BRD4 2818/4885P2RX7 23/4885NT5E 44/4885
US-20140323441-A1 Purine derivatives for the treatment of viral infections PNP, HPRT1, TYMP BRD4 3746/4885P2RX7 21/4885NT5E 47/4885
US-20170283419-A1 PURINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS PNP, ADA, HPRT1 BRD4 2818/4885P2RX7 23/4885NT5E 44/4885
US-20190359614-A1 PURINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS PNP, ADA, HPRT1 BRD4 2818/4885P2RX7 23/4885NT5E 44/4885

“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.