SCHEMBL13801847

SCHEMBL13801847

CC1c2cccc(Nc3nc(Cl)ncc3[N+](=O)[O-])c2C(=O)N1CCF

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 8/20 0.46
PTK2 Q05397 5/20 0.35
IGF1R P08069 1/20 0.35
PRKCQ Q04759 2/20 0.33
GSK3B P49841 1/20 0.33
PLK1 P53350 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL13804412 0.88 PTK2 (0.36) PIN1PTK2KMT2A
SCHEMBL12749380 0.88 PTK2 (0.37) PIN1PTK2KMT2A
SCHEMBL12749188 0.87 PTK2 (0.36) PIN1PTK2KMT2A
SCHEMBL12749384 0.86 KMT2A (0.37) PIN1PTK2IGF1RGSK3BMEN1
SCHEMBL12749379 0.85 PTK2 (0.38) PTK2
SCHEMBL1612184 0.84 PTK2 (0.44) PTK2
SCHEMBL12749386 0.84 PTK2 (0.35) PIN1PTK2KMT2A
SCHEMBL12749347 0.84 PTK2 (0.41) PIN1PTK2KMT2A
SCHEMBL12749387 0.74 SYK (0.33) PTK2
SCHEMBL12717452 0.73 PTK2 (0.44) PTK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090163465-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-25 US disclosed
US-20090149438-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-11 US disclosed
US-7521457-B2 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-21 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 (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-20090163465-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP PIN1 2268/4885PTK2 833/4885IGF1R 493/4885
US-20090149438-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP PIN1 2268/4885PTK2 833/4885IGF1R 493/4885

“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.