SCHEMBL14876216

SCHEMBL14876216

CN(Cc1ccccc1)c1ccnc(C(=O)N(O)Cc2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
IP6K1 Q92551 1/20 0.43
SLC16A3 O15427 1/20 0.41
SLC16A1 P53985 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
CFTR P13569 1/20 0.40
RIPK1 Q13546 1/20 0.40
DHODH Q02127 1/20 0.39
ALOX5 P09917 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
HDAC1 Q13547 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
DHFR P00374 1/20 0.38

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
SCHEMBL14876436 0.86 KDM4E (0.62) KDM4EALDH1A1IP6K1SLC16A3SLC16A1
SCHEMBL14876210 0.82 ALDH1A1 (0.46) KDM4EALDH1A1IP6K1SLC16A3SLC16A1
SCHEMBL14883145 0.81 CTSA (0.45) ALDH1A1KMT2AMEN1CFTRRIPK1
SCHEMBL14875741 0.81 CNR2 (0.42) CFTRRIPK1ALOX5PTGS1PTGS2
SCHEMBL14875679 0.80 SMN1; SMN2 (0.53) KDM4EALDH1A1KMT2AMEN1CFTR
SCHEMBL28097284 0.77 MAPK14 (0.39) ALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL18137709 0.77 KMO (0.43) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL14876165 0.77 KMT2A (0.48) ALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL28097357 0.77 KMT2A (0.41) ALDH1A1KMT2AMEN1L3MBTL1RAB9A
SCHEMBL14882589 0.76 CFTR (0.38) KMT2AMEN1CFTRRIPK1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160376286-A1 Pyrimidin-4-one derivatives and their use in the tratement, amelioration or prevention of a viral disease F. HOFFMAN-LA ROCHE LTD 2016-12-29 US disclosed
US-20160376286-A1 Pyrimidin-4-one derivatives and their use in the tratement, amelioration or prevention of a viral disease F. HOFFMAN-LA ROCHE LTD 2016-12-29 US disclosed
CN-103958521-B Pyrimidin-4-one derivatives and their use in the treatment, alleviation or prevention of viral diseases 弗·哈夫曼-拉罗切有限公司 2016-10-19 CN disclosed
US-20160297763-A1 Heteroaryl hydroxamic acid derivatives and their use in the treatment, amelioration or prevention of a viral disease F. HOFFMANN-LA ROCHE LTD (CH) 2016-10-13 US disclosed
US-20160297763-A1 Heteroaryl hydroxamic acid derivatives and their use in the treatment, amelioration or prevention of a viral disease F. HOFFMANN-LA ROCHE LTD (CH) 2016-10-13 US disclosed
US-20160297763-A1 Heteroaryl hydroxamic acid derivatives and their use in the treatment, amelioration or prevention of a viral disease F. HOFFMANN-LA ROCHE LTD (CH) 2016-10-13 US disclosed
EP-2794616-B1 PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE HOFFMANN LA ROCHE (CH) 2016-06-29 EP disclosed
EP-2794616-B1 PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE HOFFMANN LA ROCHE (CH) 2016-06-29 EP disclosed
CN-103958475-B Heteroaryl hydroxamic acid derivatives and their use in the treatment, alleviation or prevention of viral diseases F. HOFFMANN-LA ROCHE AG (CH) 2015-11-25 CN disclosed
EP-2794616-A1 PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE F.HOFFMANN-LA ROCHE AG (CH) 2014-10-29 EP disclosed
US-20130102600-A1 Heteroaryl hydroxamic acid derivatives and their use in the treatment, amelioration or prevention of a viral disease F. HOFFMANN-LA ROCHE LTD (CH) 2013-04-25 US disclosed
US-20130102600-A1 Heteroaryl hydroxamic acid derivatives and their use in the treatment, amelioration or prevention of a viral disease F. HOFFMANN-LA ROCHE LTD (CH) 2013-04-25 US disclosed
US-20130102601-A1 Pyrimidin-4-one derivatives and their use in the treatment, amelioration or prevention of a viral disease F. HOFFMANN-LA ROCHE LTD (CH) 2013-04-25 US disclosed
US-20130102601-A1 Pyrimidin-4-one derivatives and their use in the treatment, amelioration or prevention of a viral disease F. HOFFMANN-LA ROCHE LTD (CH) 2013-04-25 US disclosed
US-20130102600-A1 Heteroaryl hydroxamic acid derivatives and their use in the treatment, amelioration or prevention of a viral disease F. HOFFMANN-LA ROCHE LTD (CH) 2013-04-25 US disclosed
WO-2013057253-A1 PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2013-04-25 WO disclosed
US-20130102601-A1 Pyrimidin-4-one derivatives and their use in the treatment, amelioration or prevention of a viral disease F. HOFFMANN-LA ROCHE LTD (CH) 2013-04-25 US 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-20130102601-A1 Pyrimidin-4-one derivatives and their use in the treatment, amelioration or prevention of a viral disease TPMT, TYMP, HPRT1 KDM4E 3487/4885ALDH1A1 609/4885IP6K1 3285/4885
US-20160376286-A1 Pyrimidin-4-one derivatives and their use in the tratement, amelioration or prevention of a viral disease TTR, TYMP, TPMT KDM4E 3351/4885ALDH1A1 464/4885IP6K1 3765/4885
US-20160297763-A1 Heteroaryl hydroxamic acid derivatives and their use in the treatment, amelioration or prevention of a viral disease ALAD, CYP27A1, FAH KDM4E 3498/4885ALDH1A1 956/4885IP6K1 4221/4885
US-20130102600-A1 Heteroaryl hydroxamic acid derivatives and their use in the treatment, amelioration or prevention of a viral disease FAH, SLC10A1, OAT KDM4E 3710/4885ALDH1A1 965/4885IP6K1 3700/4885

“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.