SCHEMBL3811809

SCHEMBL3811809

O=C(OCc1ccccc1)c1ccccc1Nc1nc(Cl)ncc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 6/20 0.56
CTSV O60911 2/20 0.47
CTSL P07711 2/20 0.47
POLB P06746 1/20 0.46
PLK1 P53350 3/20 0.45
PTK2 Q05397 2/20 0.44
GSK3B P49841 3/20 0.44
GSK3A P49840 2/20 0.44
CDC7 O00311 1/20 0.44
PLK4 O00444 1/20 0.44
CHEK1 O14757 1/20 0.44
DCLK1 O15075 1/20 0.44
CHUK O15111 1/20 0.44
PDPK1 O15530 1/20 0.44
DAPK3 O43293 1/20 0.44
DYRK3 O43781 1/20 0.44
JAK2 O60674 1/20 0.44
ROCK2 O75116 1/20 0.44
PRKD3 O94806 1/20 0.44
MAP4K4 O95819 1/20 0.44

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
SCHEMBL3807294 0.85 PIN1 (0.59) PIN1POLBPLK1PTK2GSK3B
SCHEMBL3809036 0.85 PIN1 (0.52) PIN1PLK1PTK2GSK3BGSK3A
SCHEMBL3811561 0.84 PIN1 (0.67) PIN1CTSVCTSLPLK1PTK2
SCHEMBL3808780 0.81 PLK1 (0.64) PIN1PLK1PTK2GSK3BGSK3A
SCHEMBL13866473 0.81 PLK1 (0.72) CTSVCTSLPLK1PTK2GSK3B
SCHEMBL1204172 0.81 PIN1 (0.62) PIN1PLK1PTK2GSK3BGSK3A
SCHEMBL3814860 0.81 PIN1 (0.62) PIN1PLK1PTK2GSK3BGSK3A
Hydrochloric Acid SCHEMBL3814314 0.80 PLK1 (0.71) CTSVCTSLPLK1PTK2GSK3B
SCHEMBL2062751 0.79 PIN1 (0.59) PIN1PLK1PTK2GSK3BGSK3A
SCHEMBL3812071 0.78 PIN1 (0.51) PIN1PLK1PTK2GSK3BGSK3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1597251-B1 PYRIMIDINE COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-06-10 EP disclosed
US-7514446-B2 Pyrimidine compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-04-07 US disclosed
US-20070010668-A1 Pyrimidine compounds NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2007-01-11 US disclosed
EP-1597251-A2 PYRIMIDINE COMPOUNDS SmithKline Beecham Corporation (US) 2005-11-23 EP disclosed
WO-2004074244-A2 PYRIMIDINE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-09-02 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 (1 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-20070010668-A1 Pyrimidine compounds TYMS, TYMP, DPYD PIN1 1535/4885CTSV 3803/4885CTSL 3557/4885

“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.