SCHEMBL5500962

SCHEMBL5500962

Cn1ncc(NC(=O)CN)c1NC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
RECQL P46063 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MAPK1 P28482 1/20 0.38
NTRK1 P04629 2/20 0.36
LPAR1 Q92633 1/20 0.35
BRD4 O60885 3/20 0.34
BRD9 Q9H8M2 3/20 0.34
KAT2B Q92831 3/20 0.34
BPTF Q12830 2/20 0.34
ITGB3 P05106 1/20 0.34
ITGAV P06756 1/20 0.34
FLT1 P17948 2/20 0.33
KDR P35968 1/20 0.33
GAA P10253 1/20 0.33
LTA4H P09960 1/20 0.33

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
SCHEMBL3111828 0.90 NTRK1 (0.36) NTRK1LPAR1BRD4BRD9KAT2B
SCHEMBL6425423 0.90 HPGD (0.40) MAPK1NTRK1GAA
SCHEMBL6065837 0.88 LPAR1 (0.37) NTRK1LPAR1BRD4BRD9KAT2B
SCHEMBL5497720 0.88 KDM4E (0.36) RECQLMAPK1NTRK1LPAR1BRD4
Carbamic Acid SCHEMBL5499998 0.87 CA1 (0.40) RECQLCA1CA2NTRK1LPAR1
SCHEMBL3119092 0.87 LPAR1 (0.38) NTRK1LPAR1BRD4BRD9KAT2B
SCHEMBL27620832 0.86 CETP (0.44) MAPK1GAA
SCHEMBL6425412 0.86 ALDH1A1 (0.37) NTRK1LPAR1BRD4BRD9KAT2B
SCHEMBL5494715 0.85 ITGB3 (0.36) NTRK1BRD4BRD9ITGB3ITGAV
SCHEMBL6427861 0.85 NTRK1 (0.35) NTRK1LPAR1BRD4BRD9KAT2B

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
EP-1556389-B9 CEPHEM COMPOUNDS ASTELLAS PHARMA INC (JP) 2015-09-09 EP disclosed
EP-1556389-B3 CEPHEM COMPOUNDS ASTELLAS PHARMA INC (JP) 2015-04-01 EP disclosed
CN-100343260-C Cephem compounds FUJISAWA PHARMACEUTICAL CO (JP) 2007-10-17 CN disclosed
EP-1556389-B1 CEPHEM COMPOUNDS ASTELLAS PHARMA INC (JP) 2007-07-25 EP disclosed
US-20070037786-A1 Cephem compounds WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2007-02-15 US disclosed
US-7129232-B2 For therapy of of infectious diseases ASTELLAS PHARMA INC. (JP) 2006-10-31 US disclosed
CN-1708502-A Cephem compounds FUJISAWA PHARMACEUTICAL CO (JP) 2005-12-14 CN disclosed
EP-1556389-A1 CEPHEM COMPOUNDS Astellas Pharma Inc. (JP) 2005-07-27 EP disclosed
US-20040132994-A1 Cephem compounds FUJISAWA PHARMACEUTICAL CO., LTD (JP) 2004-07-08 US disclosed
WO-2004039814-A1 CEPHEM COMPOUNDS ASTELLAS PHARMA INC. (JP) 2004-05-13 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 (2 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-20070037786-A1 Cephem compounds CEP170, ABCB11, SLC7A1 ADRA2C 501/4885CYP1A2 315/4885CYP3A4 477/4885
US-20040132994-A1 Cephem compounds CEP170, ABCB11, RCC2 ADRA2C 512/4885CYP1A2 443/4885CYP3A4 516/4885

“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.