SCHEMBL4974004

SCHEMBL4974004

COc1cc(NC(=O)Cn2cnc3cccc(C(C)=O)c32)cc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.47
TMPRSS4 Q9NRS4 2/20 0.44
RAF1 P04049 2/20 0.42
BRAF P15056 2/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 7/20 0.42
KDM4E B2RXH2 4/20 0.42
POLB P06746 2/20 0.42
RUVBL1 Q9Y265 1/20 0.42
DDT P30046 1/20 0.41
KDR P35968 1/20 0.41
P2RX1 P51575 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL4976395 0.93 RXFP1 (0.46) RXFP1TMPRSS4RAF1BRAFTP53
SCHEMBL4465214 0.93 RXFP1 (0.47) RXFP1TMPRSS4RAF1BRAFMAPT
SCHEMBL3042696 0.93 RXFP1 (0.47) RXFP1TMPRSS4RAF1BRAFTP53
SCHEMBL4973402 0.91 TP53 (0.50) RXFP1TP53MAPTKDM4EPOLB
SCHEMBL4972906 0.88 RXFP1 (0.47) RXFP1TP53MAPTPOLBKDR
SCHEMBL4975964 0.88 RXFP1 (0.48) RXFP1TMPRSS4RAF1BRAFTP53
SCHEMBL4976902 0.88 RXFP1 (0.49) RXFP1TMPRSS4TP53MAPTPOLB
SCHEMBL4977861 0.86 RXFP1 (0.47) RXFP1TMPRSS4RAF1BRAFTP53
SCHEMBL3034826 0.86 RXFP1 (0.47) RXFP1TMPRSS4RAF1BRAFTP53
SCHEMBL4462916 0.86 RXFP1 (0.47) RXFP1TMPRSS4RAF1BRAFMAPT

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-20080015222-A1 New Heterocyclic Amides ASTRAZENECA AB (SE) 2008-01-17 US claimed
EP-1797067-A1 NEW HETEROCYCLIC AMIDES AstraZeneca AB (SE) 2007-06-20 EP claimed
WO-2006033620-A1 NEW HETEROCYCLIC AMIDES ASTRAZENECA AB (SE) 2006-03-30 WO claimed
US-20080015222-A1 New Heterocyclic Amides ASTRAZENECA AB (SE) 2008-01-17 US disclosed
EP-1797067-A1 NEW HETEROCYCLIC AMIDES AstraZeneca AB (SE) 2007-06-20 EP disclosed
WO-2006033620-A1 NEW HETEROCYCLIC AMIDES ASTRAZENECA AB (SE) 2006-03-30 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-20080015222-A1 New Heterocyclic Amides AADAC, AVPR2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 RXFP1 1473/4885TMPRSS4 832/4885RAF1 1650/4885

“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.