SCHEMBL14944672

SCHEMBL14944672

COc1nc2c(NC(=O)OC(C)(C)C)nc(Cl)nc2n1Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.44
P2RX7 Q99572 1/20 0.42
NT5E P21589 2/20 0.40
KDM4E B2RXH2 7/20 0.40
ALDH1A1 P00352 7/20 0.40
GAA P10253 6/20 0.40
HPGD P15428 6/20 0.40
CASP1 P29466 5/20 0.40
CASP7 P55210 5/20 0.40
HSD17B10 Q99714 5/20 0.40
GLA P06280 4/20 0.40
MAPT P10636 3/20 0.39
TSHR P16473 2/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
YTHDC1 Q96MU7 3/20 0.38
SCD O00767 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
CYP2C9 P11712 2/20 0.38
PTGER1 P34995 1/20 0.38
KMT2A Q03164 3/20 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
SCHEMBL14944669 0.88 BRD4 (0.48) BRD4P2RX7NT5EKDM4EALDH1A1
SCHEMBL10085237 0.75 EGLN2 (0.37) BRD4NT5ETSHRYTHDC1USP2
SCHEMBL10085238 0.72 TLR7 (0.49) BRD4P2RX7YTHDC1TLR7
SCHEMBL3495412 0.70 BRD4 (0.48) BRD4P2RX7ALDH1A1L3MBTL1SCD
SCHEMBL17622532 0.69 MKNK2 (0.42) KDM4EALDH1A1GAAHPGDCASP1
SCHEMBL13522639 0.68 KDM4E (0.51) KDM4EALDH1A1GAAHPGDCASP1
SCHEMBL27157711 0.68 NT5E (0.44) NT5EYTHDC1
SCHEMBL13522650 0.68 KDM4E (0.47) KDM4EALDH1A1GAAHPGDCASP1
SCHEMBL30806589 0.65 BRD4 (0.46) BRD4KDM4EALDH1A1HPGDTLR7
SCHEMBL16839960 0.65 BRD4 (0.52) BRD4P2RX7HPGDL3MBTL1SCD

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 8 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
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 (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-10280167-B2 Purine derivatives for the treatment of viral infections PNP, ADA, HPRT1 BRD4 2818/4885P2RX7 23/4885NT5E 44/4885
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.