SCHEMBL14875993

SCHEMBL14875993

O=C(NCO)c1cc2ccccc2cn1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.57
EGFR P00533 3/20 0.54
HDAC3 O15379 2/20 0.52
HDAC1 Q13547 2/20 0.52
HDAC2 Q92769 1/20 0.52
DRD3 P35462 9/20 0.51
HTR2A P28223 8/20 0.51
HTR1A P08908 6/20 0.51
USP30 Q70CQ3 1/20 0.51
HTR2C P28335 6/20 0.48
DRD2 P14416 2/20 0.48
KCNH2 Q12809 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
LCK P06239 1/20 0.46

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
SCHEMBL4078388 0.89 KDM4E (0.56) EGLN1EGFRHDAC3HDAC1HDAC2
SCHEMBL1208104 0.87 EGLN1 (0.62) EGLN1EGFRHDAC3HDAC1HDAC2
SCHEMBL16307678 0.85 HDAC3 (0.57) EGLN1EGFRHDAC3HDAC1HDAC2
SCHEMBL213288 0.83 EGLN1 (0.60) EGLN1EGFRHDAC3HDAC1HDAC2
SCHEMBL31016920 0.83 HDAC3 (0.65) EGLN1EGFRHDAC3HDAC1HDAC2
SCHEMBL5926434 0.81 EGLN1 (0.67) EGLN1EGFRHDAC3HDAC1HDAC2
SCHEMBL15204136 0.81 EGLN1 (0.52) EGLN1EGFRHDAC3HDAC1HDAC2
SCHEMBL5100085 0.81 EGLN1 (0.52) EGLN1EGFRHDAC3HDAC1HDAC2
SCHEMBL14876092 0.81 EGLN1 (0.57) EGLN1EGFRHDAC3HDAC1HDAC2
SCHEMBL14067741 0.80 MEN1 (0.53) EGLN1HDAC3HDAC1HDAC2DRD3

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 6 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
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
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
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

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 EGLN1 3864/4885EGFR 4818/4885HDAC3 2822/4885
US-20160376286-A1 Pyrimidin-4-one derivatives and their use in the tratement, amelioration or prevention of a viral disease TTR, TYMP, TPMT EGLN1 4110/4885EGFR 4632/4885HDAC3 3180/4885
US-20160297763-A1 Heteroaryl hydroxamic acid derivatives and their use in the treatment, amelioration or prevention of a viral disease ALAD, CYP27A1, FAH EGLN1 1937/4885EGFR 3904/4885HDAC3 146/4885
US-20130102600-A1 Heteroaryl hydroxamic acid derivatives and their use in the treatment, amelioration or prevention of a viral disease FAH, SLC10A1, OAT EGLN1 1655/4885EGFR 4252/4885HDAC3 57/4885

“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.