SCHEMBL2778631

SCHEMBL2778631

Cc1ccc(-n2c(=O)c(C(=O)O)nc3cccnc32)cc1F

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 18/20 0.60
PDE4D Q08499 16/20 0.60
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.47
PABPC1 P11940 1/20 0.47

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
SCHEMBL2783043 0.86 PDE4B (0.56) PDE4BPDE4DMEN1KMT2APOLB
SCHEMBL2780710 0.81 PDE4B (0.54) PDE4BPDE4D
SCHEMBL2780593 0.81 PDE4B (0.52) PDE4BPDE4DMEN1KMT2APOLB
SCHEMBL2780702 0.78 PDE4B (0.56) PDE4BPDE4DMEN1KMT2APOLB
SCHEMBL15954233 0.75 PDE4B (1.00) PDE4BPDE4D
SCHEMBL15965816 0.74 PDE4B (1.00) PDE4BPDE4D
SCHEMBL15954216 0.74 PDE4B (1.00) PDE4BPDE4D
SCHEMBL18691781 0.73 ALDH1A1 (0.52) MEN1KMT2APOLBPABPC1
SCHEMBL3008954 0.70 CSF1R (0.63) MEN1KMT2APOLBPABPC1
SCHEMBL11389838 0.70 ALDH1A1 (0.54) PDE4BPDE4DMEN1KMT2APOLB

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-8648075-B2 Substituted pyrido[2,3-b]pyrazines and an agrochemical composition thereof KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2014-02-11 US disclosed
US-20130137577-A1 OXOPYRAZINE DERIVATIVE AND HERBICIDE IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2013-05-30 US disclosed
US-8389523-B2 Substituted quinoxaline and an agrochemical composition thereof KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2013-03-05 US disclosed
EP-2174934-B1 OXOPYRAZINE DERIVATIVE AND HERBICIDE KUMIAI CHEMICAL INDUSTRY CO (JP) 2012-06-06 EP disclosed
US-20100197674-A1 OXOPYRAZINE DERIVATIVE AND HERBICIDE KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2010-08-05 US disclosed
EP-2174934-A1 OXOPYRAZINE DERIVATIVE AND HERBICIDE KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2010-04-14 EP 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-20130137577-A1 OXOPYRAZINE DERIVATIVE AND HERBICIDE CBR3, CBR1, DDT PDE4B 3168/4885PDE4D 3311/4885MEN1 4422/4885
US-20100197674-A1 OXOPYRAZINE DERIVATIVE AND HERBICIDE CBR3, CBR1, DDT PDE4B 3168/4885PDE4D 3311/4885MEN1 4422/4885

“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.